N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide

C20H20N4O3 — CID 46948688

IUPACN-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)[nH]n2)c(C)c1
InChIInChI=1S/C20H20N4O3/c1-12-10-16(27-3)8-9-17(12)18-11-19(24-23-18)20(26)22-15-6-4-14(5-7-15)21-13(2)25/h4-11H,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyNBBBVIDNXCIIQY-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.60
Rot. Bonds5

About N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide

N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46948688) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46948688
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)[nH]n2)c(C)c1
InChIInChI=1S/C20H20N4O3/c1-12-10-16(27-3)8-9-17(12)18-11-19(24-23-18)20(26)22-15-6-4-14(5-7-15)21-13(2)25/h4-11H,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyNBBBVIDNXCIIQY-UHFFFAOYSA-N
XLogP3.60
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 2036050
3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46948382
N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920320
3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920339
3-(2,4-dimethoxyphenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920338
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N-(4-bromo-2-methylphenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920344
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508699
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide (CID 46948688) is N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)[nH]n2)c(C)c1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NBBBVIDNXCIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-10-16(27-3)8-9-17(12)18-11-19(24-23-18)20(26)22-15-6-4-14(5-7-15)21-13(2)25/h4-11H,1-3H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide?
N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46948688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).