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

C19H27N7O3 — CID 165415390

IUPAC4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)c1C(=O)NCC(C)C
InChIInChI=1S/C19H27N7O3/c1-5-26-16(17(27)20-9-12(2)3)14(11-22-26)23-18(28)15-13(10-21-24(15)4)19(29)25-7-6-8-25/h10-12H,5-9H2,1-4H3,(H,20,27)(H,23,28)
InChIKeyJDKFSVKILDNHAC-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.12
Rot. Bonds7

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

4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415390) has the molecular formula C19H27N7O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415390
Molecular FormulaC19H27N7O3
Molecular Weight401.47 g/mol
Exact Mass401.22
IUPAC Name4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)c1C(=O)NCC(C)C
InChIInChI=1S/C19H27N7O3/c1-5-26-16(17(27)20-9-12(2)3)14(11-22-26)23-18(28)15-13(10-21-24(15)4)19(29)25-7-6-8-25/h10-12H,5-9H2,1-4H3,(H,20,27)(H,23,28)
InChIKeyJDKFSVKILDNHAC-UHFFFAOYSA-N
XLogP1.12
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.12
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)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide (CID 165415390) is 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide is CCn1ncc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)c1C(=O)NCC(C)C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is JDKFSVKILDNHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O3/c1-5-26-16(17(27)20-9-12(2)3)14(11-22-26)23-18(28)15-13(10-21-24(15)4)19(29)25-7-6-8-25/h10-12H,5-9H2,1-4H3,(H,20,27)(H,23,28).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).