1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide

C22H17ClN4O3 — CID 55871353

IUPAC1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C22H17ClN4O3/c23-17-3-1-4-19(11-17)27-14-16(13-25-27)21(28)24-12-15-6-8-18(9-7-15)26-22(29)20-5-2-10-30-20/h1-11,13-14H,12H2,(H,24,28)(H,26,29)
InChIKeyBYENFYKOGZERLH-UHFFFAOYSA-N
MW420.86 g/mol
LogP4.30
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 55871353) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID55871353
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC Name1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C22H17ClN4O3/c23-17-3-1-4-19(11-17)27-14-16(13-25-27)21(28)24-12-15-6-8-18(9-7-15)26-22(29)20-5-2-10-30-20/h1-11,13-14H,12H2,(H,24,28)(H,26,29)
InChIKeyBYENFYKOGZERLH-UHFFFAOYSA-N
XLogP4.30
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55758919
N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 46671768
N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 55602278
1-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 112845235
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-(6-bromo-3-pyridinyl)-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 99635482
N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 5306879
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 55874837
N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017854
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42018045

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide (CID 55871353) is 1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide is O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is BYENFYKOGZERLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c23-17-3-1-4-19(11-17)27-14-16(13-25-27)21(28)24-12-15-6-8-18(9-7-15)26-22(29)20-5-2-10-30-20/h1-11,13-14H,12H2,(H,24,28)(H,26,29).
What are the key properties of 1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 420.86 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55871353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).