N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C12H14N4O — CID 53014349

IUPACN-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C12H14N4O/c1-8(2)14-12(17)11-7-10(15-16-11)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,14,17)(H,15,16)
InChIKeyWBBNOILNDVRZEZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.61
Rot. Bonds3

About N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 53014349) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID53014349
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C12H14N4O/c1-8(2)14-12(17)11-7-10(15-16-11)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,14,17)(H,15,16)
InChIKeyWBBNOILNDVRZEZ-UHFFFAOYSA-N
XLogP1.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 99870944
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 99871117
N-(4-bromo-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 110676567
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 53014349) is N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is CC(C)NC(=O)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is WBBNOILNDVRZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8(2)14-12(17)11-7-10(15-16-11)9-3-5-13-6-4-9/h3-8H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53014349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).