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

C22H24N4O4 — CID 121079820

IUPAC3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(NC(=O)c2cn(C)nc2OC)cc1
InChIInChI=1S/C22H24N4O4/c1-26-14-18(22(25-26)30-3)21(28)24-17-10-8-16(9-11-17)20(27)23-13-12-15-6-4-5-7-19(15)29-2/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyUGAZSCMUGTYWPR-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.66
Rot. Bonds8

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

3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 121079820) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID121079820
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(NC(=O)c2cn(C)nc2OC)cc1
InChIInChI=1S/C22H24N4O4/c1-26-14-18(22(25-26)30-3)21(28)24-17-10-8-16(9-11-17)20(27)23-13-12-15-6-4-5-7-19(15)29-2/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyUGAZSCMUGTYWPR-UHFFFAOYSA-N
XLogP2.66
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079815
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079968
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-(methanesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 41477402
2-methoxy-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]benzamide
CID 112983517
N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 56763926
3-methoxy-1-methyl-N-[4-(1,2-oxazol-3-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 121079977
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122303009
3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079992

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide (CID 121079820) is 3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide is COc1ccccc1CCNC(=O)c1ccc(NC(=O)c2cn(C)nc2OC)cc1.
What is the InChIKey of 3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is UGAZSCMUGTYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-26-14-18(22(25-26)30-3)21(28)24-17-10-8-16(9-11-17)20(27)23-13-12-15-6-4-5-7-19(15)29-2/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide?
3-methoxy-N-[4-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.66, 8 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-(2-methoxyphenyl)ethylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121079820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).