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

C22H17ClN4O3 — CID 30391460

IUPAC1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H17ClN4O3/c1-24-21(28)14-4-8-16(9-5-14)25-22(29)18-13-19(20-3-2-12-30-20)27(26-18)17-10-6-15(23)7-11-17/h2-13H,1H3,(H,24,28)(H,25,29)
InChIKeyMNRNJVIEYHZNBS-UHFFFAOYSA-N
MW420.86 g/mol
LogP4.40
Rot. Bonds5

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

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 30391460) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID30391460
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C22H17ClN4O3/c1-24-21(28)14-4-8-16(9-5-14)25-22(29)18-13-19(20-3-2-12-30-20)27(26-18)17-10-6-15(23)7-11-17/h2-13H,1H3,(H,24,28)(H,25,29)
InChIKeyMNRNJVIEYHZNBS-UHFFFAOYSA-N
XLogP4.40
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
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1-(4-chlorophenyl)-5-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
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1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
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N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
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1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 48730832
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
CID 52554012
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide (CID 30391460) is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide is CNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is MNRNJVIEYHZNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c1-24-21(28)14-4-8-16(9-5-14)25-22(29)18-13-19(20-3-2-12-30-20)27(26-18)17-10-6-15(23)7-11-17/h2-13H,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 420.86 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 30391460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).