N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C21H22N4O5 — CID 121079884

IUPACN-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cn(C)nc3OC)cc2)c(OC)c1
InChIInChI=1S/C21H22N4O5/c1-25-12-16(21(24-25)30-4)20(27)22-14-7-5-13(6-8-14)19(26)23-17-10-9-15(28-2)11-18(17)29-3/h5-12H,1-4H3,(H,22,27)(H,23,26)
InChIKeyZWVZPSWWGYHFNT-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.95
Rot. Bonds7

About N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 121079884) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID121079884
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC NameN-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cn(C)nc3OC)cc2)c(OC)c1
InChIInChI=1S/C21H22N4O5/c1-25-12-16(21(24-25)30-4)20(27)22-14-7-5-13(6-8-14)19(26)23-17-10-9-15(28-2)11-18(17)29-3/h5-12H,1-4H3,(H,22,27)(H,23,26)
InChIKeyZWVZPSWWGYHFNT-UHFFFAOYSA-N
XLogP2.95
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079885
N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079968
N-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121080000
N-(5-acetamido-2-methoxyphenyl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 16820968
3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079815
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
4-(diethylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 9120164
3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079992
3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079820
N-(2,4-dimethoxyphenyl)-4-(ethylsulfonylamino)benzamide
CID 92643115
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 121079884) is N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2ccc(NC(=O)c3cn(C)nc3OC)cc2)c(OC)c1.
What is the InChIKey of N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is ZWVZPSWWGYHFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-25-12-16(21(24-25)30-4)20(27)22-14-7-5-13(6-8-14)19(26)23-17-10-9-15(28-2)11-18(17)29-3/h5-12H,1-4H3,(H,22,27)(H,23,26).
What are the key properties of N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121079884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).