4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide

C13H16N6O2 — CID 165415447

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide
SMILESCn1nccc1NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C13H16N6O2/c1-17-10(4-5-14-17)16-12(20)11-9(8-15-18(11)2)13(21)19-6-3-7-19/h4-5,8H,3,6-7H2,1-2H3,(H,16,20)
InChIKeyJVRHPCMHVCAMCC-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.25
Rot. Bonds3

About 4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide (PubChem CID 165415447) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide
PubChem CID165415447
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide
SMILESCn1nccc1NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C13H16N6O2/c1-17-10(4-5-14-17)16-12(20)11-9(8-15-18(11)2)13(21)19-6-3-7-19/h4-5,8H,3,6-7H2,1-2H3,(H,16,20)
InChIKeyJVRHPCMHVCAMCC-UHFFFAOYSA-N
XLogP0.25
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415389
4-(azetidine-1-carbonyl)-N-(2-bromo-6-methyl-4-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 165415448
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71506857
4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415380
4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57377746
8-[[4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carbonyl]amino]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 123237754
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57378287
4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415413
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57377957
4-(azetidine-1-carbonyl)-N-[5-(3-chlorophenyl)-1-ethylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415199
4-(azetidine-1-carbonyl)-N-[2-(2-hydroxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 158629431
3-hydroxy-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 81443340

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide (CID 165415447) is 4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide is Cn1nccc1NC(=O)c1c(C(=O)N2CCC2)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide?
The InChIKey is JVRHPCMHVCAMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-17-10(4-5-14-17)16-12(20)11-9(8-15-18(11)2)13(21)19-6-3-7-19/h4-5,8H,3,6-7H2,1-2H3,(H,16,20).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165415447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).