2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide

C18H19N5O — CID 167838088

IUPAC2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1[nH]ncc1-c1ccccc1)c1ccnn1C1CCCC1
InChIInChI=1S/C18H19N5O/c24-18(16-10-11-20-23(16)14-8-4-5-9-14)21-17-15(12-19-22-17)13-6-2-1-3-7-13/h1-3,6-7,10-12,14H,4-5,8-9H2,(H2,19,21,22,24)
InChIKeyPCVPCJQEKOURNC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.64
Rot. Bonds4

About 2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide

2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide (PubChem CID 167838088) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
PubChem CID167838088
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1[nH]ncc1-c1ccccc1)c1ccnn1C1CCCC1
InChIInChI=1S/C18H19N5O/c24-18(16-10-11-20-23(16)14-8-4-5-9-14)21-17-15(12-19-22-17)13-6-2-1-3-7-13/h1-3,6-7,10-12,14H,4-5,8-9H2,(H2,19,21,22,24)
InChIKeyPCVPCJQEKOURNC-UHFFFAOYSA-N
XLogP3.64
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide (CID 167838088) is 2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide is O=C(Nc1[nH]ncc1-c1ccccc1)c1ccnn1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is PCVPCJQEKOURNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(16-10-11-20-23(16)14-8-4-5-9-14)21-17-15(12-19-22-17)13-6-2-1-3-7-13/h1-3,6-7,10-12,14H,4-5,8-9H2,(H2,19,21,22,24).
What are the key properties of 2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide?
2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(4-phenyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 167838088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).