N-(2-methylpropyl)-1H-pyrazole-4-carboxamide

C8H13N3O — CID 43582322

IUPACN-(2-methylpropyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-6(2)3-9-8(12)7-4-10-11-5-7/h4-6H,3H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyUFGMARFXHJLBLR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.80
Rot. Bonds3

About N-(2-methylpropyl)-1H-pyrazole-4-carboxamide

N-(2-methylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582322) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(2-methylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID43582322
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(2-methylpropyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-6(2)3-9-8(12)7-4-10-11-5-7/h4-6H,3H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyUFGMARFXHJLBLR-UHFFFAOYSA-N
XLogP0.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
1H-Pyrazole-4-carboxamide
CID 17854756
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
N-{[1-(2-Methoxyethyl)pyrrolidin-3-YL]methyl}-1H-pyrazole-4-carboxamide
CID 91843924
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
N-Methyl-1H-pyrazole-4-carboxamide
CID 43582329
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1H-pyrazole-4-carboxamide (CID 43582322) is N-(2-methylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1H-pyrazole-4-carboxamide is CC(C)CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-methylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is UFGMARFXHJLBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)3-9-8(12)7-4-10-11-5-7/h4-6H,3H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of N-(2-methylpropyl)-1H-pyrazole-4-carboxamide?
N-(2-methylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).