N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide

C25H24FN3O2 — CID 134145629

IUPACN-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
SMILESCOCC1(c2ccc(C)cc2)CC(c2ccccc2)=NN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H24FN3O2/c1-18-8-10-20(11-9-18)25(17-31-2)16-23(19-6-4-3-5-7-19)28-29(25)24(30)27-22-14-12-21(26)13-15-22/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyVEONUVYKBNAEAW-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.32
Rot. Bonds5

About N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide

N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 134145629) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
PubChem CID134145629
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC NameN-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
SMILESCOCC1(c2ccc(C)cc2)CC(c2ccccc2)=NN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H24FN3O2/c1-18-8-10-20(11-9-18)25(17-31-2)16-23(19-6-4-3-5-7-19)28-29(25)24(30)27-22-14-12-21(26)13-15-22/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyVEONUVYKBNAEAW-UHFFFAOYSA-N
XLogP5.32
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide
CID 171984837
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
ethyl 1-[2-(4-fluoroanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate
CID 5021379
(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095185
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 3252705
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
CID 7947323
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
[3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(4-fluorophenyl)carbamate
CID 69278785
N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 75401002
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide (CID 134145629) is N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide is COCC1(c2ccc(C)cc2)CC(c2ccccc2)=NN1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is VEONUVYKBNAEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-18-8-10-20(11-9-18)25(17-31-2)16-23(19-6-4-3-5-7-19)28-29(25)24(30)27-22-14-12-21(26)13-15-22/h3-15H,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide?
N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 417.48 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 134145629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).