5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile

C9H12N4O — CID 110470748

IUPAC5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile
SMILESCC(C)(C)C(=O)n1ncc(C#N)c1N
InChIInChI=1S/C9H12N4O/c1-9(2,3)8(14)13-7(11)6(4-10)5-12-13/h5H,11H2,1-3H3
InChIKeyFUMNXTSBTODPBJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.02
Rot. Bonds

About 5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile

5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile (PubChem CID 110470748) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile
PubChem CID110470748
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile
SMILESCC(C)(C)C(=O)n1ncc(C#N)c1N
InChIInChI=1S/C9H12N4O/c1-9(2,3)8(14)13-7(11)6(4-10)5-12-13/h5H,11H2,1-3H3
InChIKeyFUMNXTSBTODPBJ-UHFFFAOYSA-N
XLogP1.02
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-tert-butyl-1H-pyrazole-4-carbonitrile
CID 2797454
methyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate
CID 4772908
5-amino-1-tert-butyl-1H-pyrazole-4-carboxamide
CID 21846075
Ethyl 5-amino-4-cyano-1H-pyrazole-1-carboxylate
CID 572731
5-Amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile
CID 51100206
5-Amino-1-[2-(azepan-1-yl)propanoyl]pyrazole-4-carbonitrile
CID 71991379
5-Amino-1-(5-amino-4-cyanopyrazole-1-carbonyl)pyrazole-4-carbonitrile
CID 102229523
N-(4-cyano-1-methylpyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 79504036
N-(4-cyano-1-methylpyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79504314
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide
CID 79504505
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309878
N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide
CID 103513781

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile (CID 110470748) is 5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile is CC(C)(C)C(=O)n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile?
The InChIKey is FUMNXTSBTODPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-9(2,3)8(14)13-7(11)6(4-10)5-12-13/h5H,11H2,1-3H3.
What are the key properties of 5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile?
5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,2-dimethylpropanoyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 110470748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).