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

C23H23N3O3 — CID 8531478

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)oc2ccccc12
InChIInChI=1S/C23H23N3O3/c1-15-19(16(2)26(25-15)17-9-5-4-6-10-17)13-24-23(27)22-20(14-28-3)18-11-7-8-12-21(18)29-22/h4-12H,13-14H2,1-3H3,(H,24,27)
InChIKeyXWSXIOHGUYJIPT-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.31
Rot. Bonds6

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

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 8531478) has the molecular formula C23H23N3O3 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID8531478
Molecular FormulaC23H23N3O3
Molecular Weight389.45 g/mol
Exact Mass389.17
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)oc2ccccc12
InChIInChI=1S/C23H23N3O3/c1-15-19(16(2)26(25-15)17-9-5-4-6-10-17)13-24-23(27)22-20(14-28-3)18-11-7-8-12-21(18)29-22/h4-12H,13-14H2,1-3H3,(H,24,27)
InChIKeyXWSXIOHGUYJIPT-UHFFFAOYSA-N
XLogP4.31
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8531491
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 16575231
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8531492
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
2-[2-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241326
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24516009
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
2-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024355
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51238964

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 8531478) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)oc2ccccc12.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is XWSXIOHGUYJIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-19(16(2)26(25-15)17-9-5-4-6-10-17)13-24-23(27)22-20(14-28-3)18-11-7-8-12-21(18)29-22/h4-12H,13-14H2,1-3H3,(H,24,27).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8531478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).