1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide

C13H16N4O — CID 110674207

IUPAC1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccn2)nn1C
InChIInChI=1S/C13H16N4O/c1-9(2)11-8-10(16-17(11)3)13(18)15-12-6-4-5-7-14-12/h4-9H,1-3H3,(H,14,15,18)
InChIKeyVWWLECGZIPTJMO-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.19
Rot. Bonds3

About 1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide

1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 110674207) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID110674207
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccn2)nn1C
InChIInChI=1S/C13H16N4O/c1-9(2)11-8-10(16-17(11)3)13(18)15-12-6-4-5-7-14-12/h4-9H,1-3H3,(H,14,15,18)
InChIKeyVWWLECGZIPTJMO-UHFFFAOYSA-N
XLogP2.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 75386647
1-methyl-5-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 110674204
2-[3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]phenoxy]acetic acid
CID 119224878
5-methyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 1247385
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide
CID 55885114
N-(3-methyl-2-pyridinyl)-1-phenyl-5-propan-2-ylpyrazole-3-carboxamide
CID 99713995
5-phenyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 110683613
4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120546823
5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 167799653
1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 120828370

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide (CID 110674207) is 1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2ccccn2)nn1C.
What is the InChIKey of 1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is VWWLECGZIPTJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(2)11-8-10(16-17(11)3)13(18)15-12-6-4-5-7-14-12/h4-9H,1-3H3,(H,14,15,18).
What are the key properties of 1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide?
1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110674207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).