N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H20FN3O2 — CID 26881990

IUPACN-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(C)ccc2F)cc1
InChIInChI=1S/C24H20FN3O2/c1-16-8-13-21(25)22(14-16)26-24(29)20-15-28(18-6-4-3-5-7-18)27-23(20)17-9-11-19(30-2)12-10-17/h3-15H,1-2H3,(H,26,29)
InChIKeyDSUPBLQRCGDOBU-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.25
Rot. Bonds5

About N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 26881990) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID26881990
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC NameN-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(C)ccc2F)cc1
InChIInChI=1S/C24H20FN3O2/c1-16-8-13-21(25)22(14-16)26-24(29)20-15-28(18-6-4-3-5-7-18)27-23(20)17-9-11-19(30-2)12-10-17/h3-15H,1-2H3,(H,26,29)
InChIKeyDSUPBLQRCGDOBU-UHFFFAOYSA-N
XLogP5.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55344475
N-(2-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 23935617
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55669333
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18226016
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 26734824
N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066
N-[4-(2-methoxy-4-methylphenoxy)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 156904364
N-(5-acetamido-2-fluorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55551214
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 2362099
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 26881990) is N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cc(C)ccc2F)cc1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is DSUPBLQRCGDOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-16-8-13-21(25)22(14-16)26-24(29)20-15-28(18-6-4-3-5-7-18)27-23(20)17-9-11-19(30-2)12-10-17/h3-15H,1-2H3,(H,26,29).
What are the key properties of N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 26881990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).