4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide

C17H17N7O2 — CID 165368468

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(-c2ccccn2)[nH]n1
InChIInChI=1S/C17H17N7O2/c1-23-15(11(10-19-23)17(26)24-7-4-8-24)16(25)20-14-9-13(21-22-14)12-5-2-3-6-18-12/h2-3,5-6,9-10H,4,7-8H2,1H3,(H2,20,21,22,25)
InChIKeyQDVCDECQBDYFIR-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.30
Rot. Bonds4

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

4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide (PubChem CID 165368468) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
PubChem CID165368468
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(-c2ccccn2)[nH]n1
InChIInChI=1S/C17H17N7O2/c1-23-15(11(10-19-23)17(26)24-7-4-8-24)16(25)20-14-9-13(21-22-14)12-5-2-3-6-18-12/h2-3,5-6,9-10H,4,7-8H2,1H3,(H2,20,21,22,25)
InChIKeyQDVCDECQBDYFIR-UHFFFAOYSA-N
XLogP1.30
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 71288719
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71538978
N-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(3-fluoroazetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 57377850
4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-isopropyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57378066
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[(2-fluoro-ethyl)-methyl-amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 57378391
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(6-fluoropyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775852
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-pyridin-3-ylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 71288581
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 71288613

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide (CID 165368468) is 4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc(-c2ccccn2)[nH]n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
The InChIKey is QDVCDECQBDYFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-23-15(11(10-19-23)17(26)24-7-4-8-24)16(25)20-14-9-13(21-22-14)12-5-2-3-6-18-12/h2-3,5-6,9-10H,4,7-8H2,1H3,(H2,20,21,22,25).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165368468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).