3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide

C21H22N4O4 — CID 121079815

IUPAC3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NC(=O)c2cn(C)nc2OC)cc1
InChIInChI=1S/C21H22N4O4/c1-25-13-17(21(24-25)29-3)20(27)23-16-10-8-14(9-11-16)19(26)22-12-15-6-4-5-7-18(15)28-2/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyWPWODHFDBXLSAQ-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.62
Rot. Bonds7

About 3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide

3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 121079815) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID121079815
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NC(=O)c2cn(C)nc2OC)cc1
InChIInChI=1S/C21H22N4O4/c1-25-13-17(21(24-25)29-3)20(27)23-16-10-8-14(9-11-16)19(26)22-12-15-6-4-5-7-18(15)28-2/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyWPWODHFDBXLSAQ-UHFFFAOYSA-N
XLogP2.62
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079820
N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 56763926
N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079968
N-[4-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079885
N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079884
N-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121080000
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092095
N-[4-[benzyl(phenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079826
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 171463810
3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 121079977

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide (CID 121079815) is 3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide is COc1ccccc1CNC(=O)c1ccc(NC(=O)c2cn(C)nc2OC)cc1.
What is the InChIKey of 3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is WPWODHFDBXLSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-25-13-17(21(24-25)29-3)20(27)23-16-10-8-14(9-11-16)19(26)22-12-15-6-4-5-7-18(15)28-2/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide?
3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121079815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).