N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C20H20N4O3 — CID 121089505

IUPACN-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)n(C)n2)c1
InChIInChI=1S/C20H20N4O3/c1-13(25)21-15-7-9-16(10-8-15)22-20(26)19-12-18(23-24(19)2)14-5-4-6-17(11-14)27-3/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyHNNHNWHATDMVJU-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.31
Rot. Bonds5

About N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 121089505) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID121089505
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)n(C)n2)c1
InChIInChI=1S/C20H20N4O3/c1-13(25)21-15-7-9-16(10-8-15)22-20(26)19-12-18(23-24(19)2)14-5-4-6-17(11-14)27-3/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyHNNHNWHATDMVJU-UHFFFAOYSA-N
XLogP3.31
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088698
N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088704
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502
N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088720
3-(3-methoxyphenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 71809697
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
3-(3-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 90595519
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122296841
3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
CID 121088697
3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122354772
3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122295727
N-(2,4-dimethoxypyrimidin-5-yl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122304138

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 121089505) is N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)n(C)n2)c1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is HNNHNWHATDMVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13(25)21-15-7-9-16(10-8-15)22-20(26)19-12-18(23-24(19)2)14-5-4-6-17(11-14)27-3/h4-12H,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 121089505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).