4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide

C21H30N6O2 — CID 165415232

IUPAC4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
SMILESCCCCc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n(C2CCCC2)n1
InChIInChI=1S/C21H30N6O2/c1-3-4-8-15-13-18(27(24-15)16-9-5-6-10-16)23-20(28)19-17(14-22-25(19)2)21(29)26-11-7-12-26/h13-14,16H,3-12H2,1-2H3,(H,23,28)
InChIKeyUHSKXVBKGXFOHP-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.17
Rot. Bonds7

About 4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 165415232) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
PubChem CID165415232
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
SMILESCCCCc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n(C2CCCC2)n1
InChIInChI=1S/C21H30N6O2/c1-3-4-8-15-13-18(27(24-15)16-9-5-6-10-16)23-20(28)19-17(14-22-25(19)2)21(29)26-11-7-12-26/h13-14,16H,3-12H2,1-2H3,(H,23,28)
InChIKeyUHSKXVBKGXFOHP-UHFFFAOYSA-N
XLogP3.17
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-N-[1-(2-fluorophenyl)pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415380
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)-1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide
CID 165368460
4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide
CID 165415040
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-(1-cyclopentyl-3-propan-2-ylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 165415379
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

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide (CID 165415232) is 4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide is CCCCc1cc(NC(=O)c2c(C(=O)N3CCC3)cnn2C)n(C2CCCC2)n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is UHSKXVBKGXFOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-3-4-8-15-13-18(27(24-15)16-9-5-6-10-16)23-20(28)19-17(14-22-25(19)2)21(29)26-11-7-12-26/h13-14,16H,3-12H2,1-2H3,(H,23,28).
What are the key properties of 4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.17, 7 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-(3-butyl-1-cyclopentylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).