4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide

C18H25N7O3 — CID 165415399

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C
InChIInChI=1S/C18H25N7O3/c1-11(2)8-19-16(26)15-13(10-21-24(15)4)22-17(27)14-12(9-20-23(14)3)18(28)25-6-5-7-25/h9-11H,5-8H2,1-4H3,(H,19,26)(H,22,27)
InChIKeyCXAVOCPWLRYDFS-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.64
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide (PubChem CID 165415399) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
PubChem CID165415399
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C
InChIInChI=1S/C18H25N7O3/c1-11(2)8-19-16(26)15-13(10-21-24(15)4)22-17(27)14-12(9-20-23(14)3)18(28)25-6-5-7-25/h9-11H,5-8H2,1-4H3,(H,19,26)(H,22,27)
InChIKeyCXAVOCPWLRYDFS-UHFFFAOYSA-N
XLogP0.64
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide (CID 165415399) is 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide is CC(C)CNC(=O)c1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is CXAVOCPWLRYDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-11(2)8-19-16(26)15-13(10-21-24(15)4)22-17(27)14-12(9-20-23(14)3)18(28)25-6-5-7-25/h9-11H,5-8H2,1-4H3,(H,19,26)(H,22,27).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 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-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 165415399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).