4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide

C20H28N6O2 — CID 165415379

IUPAC4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
SMILESCC(C)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n(C2CCCC2)n1
InChIInChI=1S/C20H28N6O2/c1-13(2)16-11-17(26(23-16)14-7-4-5-8-14)22-19(27)18-15(12-21-24(18)3)20(28)25-9-6-10-25/h11-14H,4-10H2,1-3H3,(H,22,27)
InChIKeyVAJVKUQEIJXQQB-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.95
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 165415379) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
PubChem CID165415379
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
SMILESCC(C)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n(C2CCCC2)n1
InChIInChI=1S/C20H28N6O2/c1-13(2)16-11-17(26(23-16)14-7-4-5-8-14)22-19(27)18-15(12-21-24(18)3)20(28)25-9-6-10-25/h11-14H,4-10H2,1-3H3,(H,22,27)
InChIKeyVAJVKUQEIJXQQB-UHFFFAOYSA-N
XLogP2.95
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415385
4-(azetidine-1-carbonyl)-N-[1-(2-fluoroethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415409
4-(azetidine-1-carbonyl)-N-[1-(difluoromethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415421
4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 165415232
4-(azetidine-1-carbonyl)-N-(1-benzylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415305
4-(azetidine-1-carbonyl)-N-(5-butyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415316
4-(azetidine-1-carbonyl)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415383
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(2-methylpropyl)pyrazol-3-yl]pyrazole-5-carboxamide
CID 165415389
4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-5-methylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415394
4-(azetidine-1-carbonyl)-N-(1-cyclohexylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415395
4-(azetidine-1-carbonyl)-N-[1-(cyclopropylmethyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415405
4-(azetidine-1-carbonyl)-N-(5-cyclobutyl-1-cyclopentylpyrazol-3-yl)-1-methylpyrazole-5-carboxamide
CID 165415413

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide (CID 165415379) is 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide is CC(C)c1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n(C2CCCC2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is VAJVKUQEIJXQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-13(2)16-11-17(26(23-16)14-7-4-5-8-14)22-19(27)18-15(12-21-24(18)3)20(28)25-9-6-10-25/h11-14H,4-10H2,1-3H3,(H,22,27).
What are the key properties of 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).