Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate - CAS 31037-02-2

Catalog:	BB020783
Product Name:	Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CAS:	31037-02-2
Synonyms:	ethyl 5-amino-1-methylpyrazole-4-carboxylate

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Computed Properties

IUPAC Name:	ethyl 5-amino-1-methylpyrazole-4-carboxylate
Description:	Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate (CAS# 31037-02-2) is a useful research chemical.
Molecular Weight:	169.18
Molecular Formula:	C7H11N3O2
Canonical SMILES:	CCOC(=O)C1=C(N(N=C1)C)N
InChI:	InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3,8H2,1-2H3
InChI Key:	MEUSJJFWVKBUFP-UHFFFAOYSA-N
Boiling Point:	300.5 °C at 760 mmHg
Density:	1.29 g/cm³
MDL:	MFCD00051652
LogP:	0.76020

Publication Number	Title	Priority Date
CN-111192857-A	Corrosion-resistant conductive structure and corrosion-resistant coating composition	20200214
TW-M601499-U	Corrosion-resistant conductive structure	20200214
CN-212848363-U	Corrosion resistant conductive structure	20200214
US-2021253871-A1	Corrosion-resistant conductive structure and corrosion-resistant coating composition	20200214
WO-2021133915-A1	Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof	20191223

PMID	Publication Date	Title	Journal
18771255	20081009	2-aminothienopyridazines as novel adenosine A1 receptor allosteric modulators and antagonists	Journal of medicinal chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.085126602
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.085126602
Rotatable Bond Count:	3
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7