N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide

C16H19ClN4O — CID 119574896

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(CN)(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)C1CC1
InChIInChI=1S/C16H19ClN4O/c1-16(10-18,12-2-3-12)20-15(22)11-8-19-21(9-11)14-6-4-13(17)5-7-14/h4-9,12H,2-3,10,18H2,1H3,(H,20,22)
InChIKeyNVSJSFNTLKGXGM-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.38
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide (PubChem CID 119574896) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide
PubChem CID119574896
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide
SMILESCC(CN)(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)C1CC1
InChIInChI=1S/C16H19ClN4O/c1-16(10-18,12-2-3-12)20-15(22)11-8-19-21(9-11)14-6-4-13(17)5-7-14/h4-9,12H,2-3,10,18H2,1H3,(H,20,22)
InChIKeyNVSJSFNTLKGXGM-UHFFFAOYSA-N
XLogP2.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119607994
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butylpyrazole-4-carboxamide
CID 119572438
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119603915
1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 55892350
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119599531
N-[3-(aminomethyl)pentan-3-yl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 119571092
N-(1-amino-2,4-dimethylpentan-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119599101
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide
CID 119573656

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide (CID 119574896) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide is CC(CN)(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide?
The InChIKey is NVSJSFNTLKGXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-16(10-18,12-2-3-12)20-15(22)11-8-19-21(9-11)14-6-4-13(17)5-7-14/h4-9,12H,2-3,10,18H2,1H3,(H,20,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119574896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).