N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C26H24N4O3 — CID 121079826

IUPACN-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24N4O3/c1-29-18-23(25(28-29)33-2)24(31)27-21-15-13-20(14-16-21)26(32)30(22-11-7-4-8-12-22)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3,(H,27,31)
InChIKeyXVHHHKTWUXOEGW-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.53
Rot. Bonds7

About N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 121079826) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID121079826
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24N4O3/c1-29-18-23(25(28-29)33-2)24(31)27-21-15-13-20(14-16-21)26(32)30(22-11-7-4-8-12-22)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3,(H,27,31)
InChIKeyXVHHHKTWUXOEGW-UHFFFAOYSA-N
XLogP4.53
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079815
3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079820
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
N-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121080000
N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 56763926
5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17229681
3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 121079977
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079992
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
N-[4-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079885

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 121079826) is N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is XVHHHKTWUXOEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-29-18-23(25(28-29)33-2)24(31)27-21-15-13-20(14-16-21)26(32)30(22-11-7-4-8-12-22)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3,(H,27,31).
What are the key properties of N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121079826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).