N,1-di(propan-2-yl)pyrazole-4-carboxamide

C10H17N3O — CID 177272297

IUPACN,1-di(propan-2-yl)pyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C10H17N3O/c1-7(2)12-10(14)9-5-11-13(6-9)8(3)4/h5-8H,1-4H3,(H,12,14)
InChIKeyOKACTWUPGIHXRZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.60
Rot. Bonds3

About N,1-di(propan-2-yl)pyrazole-4-carboxamide

N,1-di(propan-2-yl)pyrazole-4-carboxamide (PubChem CID 177272297) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N,1-di(propan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-di(propan-2-yl)pyrazole-4-carboxamide
PubChem CID177272297
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN,1-di(propan-2-yl)pyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C10H17N3O/c1-7(2)12-10(14)9-5-11-13(6-9)8(3)4/h5-8H,1-4H3,(H,12,14)
InChIKeyOKACTWUPGIHXRZ-UHFFFAOYSA-N
XLogP1.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole-4-carboxamide, 5-chloro-1-(1,1-dimethylethyl)-N-methyl-
CID 163680
1-Methyl-1H-pyrazole-4-carboxamide
CID 14579135
1-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CID 5230536
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
N-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 45831942
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
[(1R)-1-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 177377105
methyl 3-(4-carbamoyl-1H-pyrazol-1-yl)propanoate
CID 50896619
1-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 28742812
5-amino-N-cyclopropyl-1-methyl-1H-pyrazole-4-carboxamide
CID 80503163

Frequently Asked Questions

What is the IUPAC name of N,1-di(propan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N,1-di(propan-2-yl)pyrazole-4-carboxamide (CID 177272297) is N,1-di(propan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N,1-di(propan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N,1-di(propan-2-yl)pyrazole-4-carboxamide is CC(C)NC(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N,1-di(propan-2-yl)pyrazole-4-carboxamide?
The InChIKey is OKACTWUPGIHXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)12-10(14)9-5-11-13(6-9)8(3)4/h5-8H,1-4H3,(H,12,14).
What are the key properties of N,1-di(propan-2-yl)pyrazole-4-carboxamide?
N,1-di(propan-2-yl)pyrazole-4-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-di(propan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 177272297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).