N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide

C21H19N3O3 — CID 1157494

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc2ccccc12
InChIInChI=1S/C21H19N3O3/c1-13-16-11-7-8-12-17(16)27-19(13)20(25)22-18-14(2)23(3)24(21(18)26)15-9-5-4-6-10-15/h4-12H,1-3H3,(H,22,25)
InChIKeyGGSCRXWEIRWZSW-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.79
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 1157494) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID1157494
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc2ccccc12
InChIInChI=1S/C21H19N3O3/c1-13-16-11-7-8-12-17(16)27-19(13)20(25)22-18-14(2)23(3)24(21(18)26)15-9-5-4-6-10-15/h4-12H,1-3H3,(H,22,25)
InChIKeyGGSCRXWEIRWZSW-UHFFFAOYSA-N
XLogP3.79
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
N-(2-Benzoyl-3-benzofuranyl)acetamide
CID 616884
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
Furan-2-carboxamide deriv., 5
CID 44236892
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-5-methylfuran-2-carboxamide
CID 44236893
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-[4-(hexanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1868107
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
N-[4-[4-(3-Cyanophenyl)piperazin-1-yl]butyl]benzo[b]furan-2-carboxamide
CID 11596521

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide (CID 1157494) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc2ccccc12.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GGSCRXWEIRWZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-16-11-7-8-12-17(16)27-19(13)20(25)22-18-14(2)23(3)24(21(18)26)15-9-5-4-6-10-15/h4-12H,1-3H3,(H,22,25).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1157494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).