N-Benzyl-1-(1-ethyl-1H-pyrazol-5-yl)methanamine - CAS 1005631-26-4

Catalog:	BB046380
Product Name:	N-Benzyl-1-(1-ethyl-1H-pyrazol-5-yl)methanamine
CAS:	1005631-26-4
Synonyms:	1H-Pyrazole-4-methanamine, 1-ethyl-N-[(4-fluorophenyl)methyl]-3-methyl-; [(1-ethylpyrazol-5-yl)methyl]benzylamine

Technical Data

Computed Properties

IUPAC Name:	N-[(2-ethylpyrazol-3-yl)methyl]-1-phenylmethanamine
Description:	N-Benzyl-1-(1-ethyl-1H-pyrazol-5-yl)methanamine (CAS# 1005631-26-4 ) is a useful research chemical.
Molecular Weight:	215.29
Molecular Formula:	C13H17N3
Canonical SMILES:	CCN1C(=CC=N1)CNCC2=CC=CC=C2
InChI:	InChI=1S/C13H17N3/c1-2-16-13(8-9-15-16)11-14-10-12-6-4-3-5-7-12/h3-9,14H,2,10-11H2,1H3
InChI Key:	BNQPMGKGUUKXKP-UHFFFAOYSA-N
Boiling Point:	345.4±22.0 °C (Predicted)
Density:	1.05±0.1 g/cm³ (Predicted)

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Related Functional Groups

Halides

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[452-76-6]
2,4-Difluorotoluene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[2114-39-8]
2-Bromo-1-phenylpropane
[13294-71-8]
2-Bromo-2-butene, mixture of cis and trans

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Pyrazoles

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.142247555
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	215.142247555
Rotatable Bond Count:	5
Topological Polar Surface Area:	29.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4