3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C25H19N3O3 — CID 1289003

IUPAC3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C25H19N3O3/c1-30-20-13-11-18(12-14-20)26-25(29)21-16-28(19-8-3-2-4-9-19)27-24(21)23-15-17-7-5-6-10-22(17)31-23/h2-16H,1H3,(H,26,29)
InChIKeyDWUZYTCVXGEMKX-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.55
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1289003) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1289003
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C25H19N3O3/c1-30-20-13-11-18(12-14-20)26-25(29)21-16-28(19-8-3-2-4-9-19)27-24(21)23-15-17-7-5-6-10-22(17)31-23/h2-16H,1H3,(H,26,29)
InChIKeyDWUZYTCVXGEMKX-UHFFFAOYSA-N
XLogP5.55
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-Methylfuran-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 818637
(2E)-3-(3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid
CID 805325
[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]methanol
CID 740225
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
3-[3-(1-benzofuran-2-yl)-4-formyl-1H-pyrazol-1-yl]propanoic acid
CID 895913
3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 976452
3,5-dimethyl 4-[3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 980133
N-benzyl-N-{[3-(5-methyl-2-furyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-2-furamide
CID 1288057
3-({[3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}amino)benzoic acid
CID 1289171
4-[[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoic acid
CID 2121569
4-[Benzyl-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobutanoic acid
CID 2121573
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 2121904

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 1289003) is 3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is DWUZYTCVXGEMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-30-20-13-11-18(12-14-20)26-25(29)21-16-28(19-8-3-2-4-9-19)27-24(21)23-15-17-7-5-6-10-22(17)31-23/h2-16H,1H3,(H,26,29).
What are the key properties of 3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1289003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).