1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide

C18H20ClN3O — CID 22176751

IUPAC1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H20ClN3O/c19-14-7-5-13(6-8-14)18(9-1-2-10-18)17(23)20-16-11-15(21-22-16)12-3-4-12/h5-8,11-12H,1-4,9-10H2,(H2,20,21,22,23)
InChIKeyIUQZEGBBRAMGIZ-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 22176751) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide
PubChem CID22176751
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H20ClN3O/c19-14-7-5-13(6-8-14)18(9-1-2-10-18)17(23)20-16-11-15(21-22-16)12-3-4-12/h5-8,11-12H,1-4,9-10H2,(H2,20,21,22,23)
InChIKeyIUQZEGBBRAMGIZ-UHFFFAOYSA-N
XLogP4.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide (CID 22176751) is 1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide is O=C(Nc1cc(C2CC2)[nH]n1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is IUQZEGBBRAMGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-14-7-5-13(6-8-14)18(9-1-2-10-18)17(23)20-16-11-15(21-22-16)12-3-4-12/h5-8,11-12H,1-4,9-10H2,(H2,20,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 22176751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).