1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide

C23H20ClN3O4 — CID 55514272

IUPAC1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1OC
InChIInChI=1S/C23H20ClN3O4/c1-14-10-21(29-2)22(30-3)13-17(14)25-23(28)18-12-19(20-8-5-9-31-20)27(26-18)16-7-4-6-15(24)11-16/h4-13H,1-3H3,(H,25,28)
InChIKeyBXUMKUMZYDBQJJ-UHFFFAOYSA-N
MW437.88 g/mol
LogP5.36
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide

1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide (PubChem CID 55514272) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
PubChem CID55514272
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1OC
InChIInChI=1S/C23H20ClN3O4/c1-14-10-21(29-2)22(30-3)13-17(14)25-23(28)18-12-19(20-8-5-9-31-20)27(26-18)16-7-4-6-15(24)11-16/h4-13H,1-3H3,(H,25,28)
InChIKeyBXUMKUMZYDBQJJ-UHFFFAOYSA-N
XLogP5.36
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.88
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 32688634
N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55519428
methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
CID 32614568
methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55845539
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55991120
1-(3-chlorophenyl)-N'-(2,5-dimethylfuran-3-carbonyl)-5-(furan-2-yl)pyrazole-3-carbohydrazide
CID 32617649
N-(4-acetyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 52554967
1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
CID 32738812
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38602656
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide
CID 49395004

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide (CID 55514272) is 1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide is COc1cc(C)c(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
The InChIKey is BXUMKUMZYDBQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-14-10-21(29-2)22(30-3)13-17(14)25-23(28)18-12-19(20-8-5-9-31-20)27(26-18)16-7-4-6-15(24)11-16/h4-13H,1-3H3,(H,25,28).
What are the key properties of 1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide has a molecular weight of 437.88 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 55514272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).