1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide

C22H23ClN4O — CID 71807950

IUPAC1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H23ClN4O/c23-18-8-6-17(7-9-18)22(11-2-3-12-22)21(28)25-14-16-27-15-10-20(26-27)19-5-1-4-13-24-19/h1,4-10,13,15H,2-3,11-12,14,16H2,(H,25,28)
InChIKeyHRALMYYIGIWROX-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.23
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 71807950) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID71807950
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H23ClN4O/c23-18-8-6-17(7-9-18)22(11-2-3-12-22)21(28)25-14-16-27-15-10-20(26-27)19-5-1-4-13-24-19/h1,4-10,13,15H,2-3,11-12,14,16H2,(H,25,28)
InChIKeyHRALMYYIGIWROX-UHFFFAOYSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide (CID 71807950) is 1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide is O=C(NCCn1ccc(-c2ccccn2)n1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is HRALMYYIGIWROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-18-8-6-17(7-9-18)22(11-2-3-12-22)21(28)25-14-16-27-15-10-20(26-27)19-5-1-4-13-24-19/h1,4-10,13,15H,2-3,11-12,14,16H2,(H,25,28).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 71807950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).