N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide

C21H19N3O3 — CID 46964110

IUPACN-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc4oc(C)cc4c3)n(C)n2)cc1
InChIInChI=1S/C21H19N3O3/c1-13-10-16-11-15(6-9-19(16)27-13)21(25)22-20-12-18(23-24(20)2)14-4-7-17(26-3)8-5-14/h4-12H,1-3H3,(H,22,25)
InChIKeyYNVHAVZGKCUTSB-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.40
Rot. Bonds4

About N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide

N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide (PubChem CID 46964110) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide
PubChem CID46964110
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc4oc(C)cc4c3)n(C)n2)cc1
InChIInChI=1S/C21H19N3O3/c1-13-10-16-11-15(6-9-19(16)27-13)21(25)22-20-12-18(23-24(20)2)14-4-7-17(26-3)8-5-14/h4-12H,1-3H3,(H,22,25)
InChIKeyYNVHAVZGKCUTSB-UHFFFAOYSA-N
XLogP4.40
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide
CID 46964112
tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate
CID 170596502
3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669
N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-4-ethynylbenzamide
CID 170346108
methyl 3-[[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]carbamoyl]benzoate
CID 170346238
3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
CID 46088099
N-[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170346252
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1-benzofuran-5-carboxamide
CID 134703092
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
N-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17234016
2-[[2-(4-methoxyphenyl)-1-benzofuran-5-carbonyl]amino]ethylphosphonic acid
CID 102130870

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide (CID 46964110) is N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide is COc1ccc(-c2cc(NC(=O)c3ccc4oc(C)cc4c3)n(C)n2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide?
The InChIKey is YNVHAVZGKCUTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-10-16-11-15(6-9-19(16)27-13)21(25)22-20-12-18(23-24(20)2)14-4-7-17(26-3)8-5-14/h4-12H,1-3H3,(H,22,25).
What are the key properties of N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide?
N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-2-methyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 46964110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).