5-Methyl-1-(oxolan-3-yl)-1H-pyrazol-4-amine - CAS 1374829-61-4
Catalog: |
BB072777 |
Product Name: |
5-Methyl-1-(oxolan-3-yl)-1H-pyrazol-4-amine |
CAS: |
1374829-61-4 |
Synonyms: |
5-methyl-1-(oxolan-3-yl)-1H-pyrazol-4-amine; 5-methyl-1-(oxolan-3-yl)pyrazol-4-amine |
IUPAC Name: | 5-methyl-1-(oxolan-3-yl)pyrazol-4-amine |
Molecular Weight: | 167.2 |
Molecular Formula: | C8H13N3O |
Canonical SMILES: | CC1=C(C=NN1C2CCOC2)N |
InChI: | InChI=1S/C8H13N3O/c1-6-8(9)4-10-11(6)7-2-3-12-5-7/h4,7H,2-3,5,9H2,1H3 |
InChI Key: | VCHJIYGWBCJHGW-UHFFFAOYSA-N |
References: | Baker-Glenn, C., et al. From PCT Int. Appl. (2012), WO 2012062783 A1 20120518. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.105862047 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.105862047 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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