4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide

C18H19N7O2 — CID 165415090

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCc1cccc(-c2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)n[nH]2)n1
InChIInChI=1S/C18H19N7O2/c1-11-5-3-6-13(20-11)14-9-15(23-22-14)21-17(26)16-12(10-19-24(16)2)18(27)25-7-4-8-25/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,21,22,23,26)
InChIKeyDBMLXTLJQXLBIS-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.61
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide (PubChem CID 165415090) 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-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide
PubChem CID165415090
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCc1cccc(-c2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)n[nH]2)n1
InChIInChI=1S/C18H19N7O2/c1-11-5-3-6-13(20-11)14-9-15(23-22-14)21-17(26)16-12(10-19-24(16)2)18(27)25-7-4-8-25/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,21,22,23,26)
InChIKeyDBMLXTLJQXLBIS-UHFFFAOYSA-N
XLogP1.61
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide (CID 165415090) is 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide is Cc1cccc(-c2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)n[nH]2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The InChIKey is DBMLXTLJQXLBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-11-5-3-6-13(20-11)14-9-15(23-22-14)21-17(26)16-12(10-19-24(16)2)18(27)25-7-4-8-25/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,21,22,23,26).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 1.61, 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-(6-methyl-2-pyridinyl)-1H-pyrazol-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 165415090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).