4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide

C18H19N7O2 — CID 165415326

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccncc2)n1
InChIInChI=1S/C18H19N7O2/c1-23-16(14(11-20-23)18(27)24-8-2-9-24)17(26)21-15-5-10-25(22-15)12-13-3-6-19-7-4-13/h3-7,10-11H,2,8-9,12H2,1H3,(H,21,22,26)
InChIKeyDZTNVXSTTNABFI-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.16
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide (PubChem CID 165415326) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide
PubChem CID165415326
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccncc2)n1
InChIInChI=1S/C18H19N7O2/c1-23-16(14(11-20-23)18(27)24-8-2-9-24)17(26)21-15-5-10-25(22-15)12-13-3-6-19-7-4-13/h3-7,10-11H,2,8-9,12H2,1H3,(H,21,22,26)
InChIKeyDZTNVXSTTNABFI-UHFFFAOYSA-N
XLogP1.16
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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)-N-[2-[5-(3-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288682
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-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377956
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377960
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
6-Cyclopropyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid [5-(azetidine-1-carbonyl)-1-methyl-1H-pyrazol-4-yl]-amide
CID 58548168

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide (CID 165415326) is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn(Cc2ccncc2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide?
The InChIKey is DZTNVXSTTNABFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-23-16(14(11-20-23)18(27)24-8-2-9-24)17(26)21-15-5-10-25(22-15)12-13-3-6-19-7-4-13/h3-7,10-11H,2,8-9,12H2,1H3,(H,21,22,26).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 165415326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).