1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide

C23H17ClN4O2 — CID 55579682

IUPAC1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H17ClN4O2/c1-27(15-17-5-2-4-16(12-17)14-25)23(29)20-13-21(22-6-3-11-30-22)28(26-20)19-9-7-18(24)8-10-19/h2-13H,15H2,1H3
InChIKeyQLORBEOZZZTWOC-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.93
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide

1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 55579682) has the molecular formula C23H17ClN4O2 and a molecular weight of 416.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
PubChem CID55579682
Molecular FormulaC23H17ClN4O2
Molecular Weight416.87 g/mol
Exact Mass416.10
IUPAC Name1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H17ClN4O2/c1-27(15-17-5-2-4-16(12-17)14-25)23(29)20-13-21(22-6-3-11-30-22)28(26-20)19-9-7-18(24)8-10-19/h2-13H,15H2,1H3
InChIKeyQLORBEOZZZTWOC-UHFFFAOYSA-N
XLogP4.93
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide (CID 55579682) is 1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide is CN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is QLORBEOZZZTWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O2/c1-27(15-17-5-2-4-16(12-17)14-25)23(29)20-13-21(22-6-3-11-30-22)28(26-20)19-9-7-18(24)8-10-19/h2-13H,15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 416.87 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 55579682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).