1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide

C23H25ClN4O3 — CID 55805611

IUPAC1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCCC1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H25ClN4O3/c24-17-8-10-18(11-9-17)28-20(21-7-4-14-31-21)15-19(27-28)23(30)26-13-12-25-22(29)16-5-2-1-3-6-16/h4,7-11,14-16H,1-3,5-6,12-13H2,(H,25,29)(H,26,30)
InChIKeyLQQXQOKWHQUJQT-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.21
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide

1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide (PubChem CID 55805611) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
PubChem CID55805611
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCCC1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H25ClN4O3/c24-17-8-10-18(11-9-17)28-20(21-7-4-14-31-21)15-19(27-28)23(30)26-13-12-25-22(29)16-5-2-1-3-6-16/h4,7-11,14-16H,1-3,5-6,12-13H2,(H,25,29)(H,26,30)
InChIKeyLQQXQOKWHQUJQT-UHFFFAOYSA-N
XLogP4.21
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-(4-chlorophenyl)-5-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
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(4-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone;hydrochloride
CID 119376116
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 30391460
methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide (CID 55805611) is 1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide is O=C(NCCNC(=O)C1CCCCC1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
The InChIKey is LQQXQOKWHQUJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c24-17-8-10-18(11-9-17)28-20(21-7-4-14-31-21)15-19(27-28)23(30)26-13-12-25-22(29)16-5-2-1-3-6-16/h4,7-11,14-16H,1-3,5-6,12-13H2,(H,25,29)(H,26,30).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 55805611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).