5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide

C24H18F5N3O3 — CID 13274986

IUPAC5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1
InChIInChI=1S/C24H18F5N3O3/c25-22(26)34-18-10-6-16(7-11-18)21-20(15-4-2-1-3-5-15)14-32(31-21)23(33)30-17-8-12-19(13-9-17)35-24(27,28)29/h1-13,20,22H,14H2,(H,30,33)
InChIKeyXBMSMISOXDKIDQ-UHFFFAOYSA-N
MW491.42 g/mol
LogP6.22
Rot. Bonds6

About 5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide

5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 13274986) has the molecular formula C24H18F5N3O3 and a molecular weight of 491.42 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID13274986
Molecular FormulaC24H18F5N3O3
Molecular Weight491.42 g/mol
Exact Mass491.13
IUPAC Name5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1
InChIInChI=1S/C24H18F5N3O3/c25-22(26)34-18-10-6-16(7-11-18)21-20(15-4-2-1-3-5-15)14-32(31-21)23(33)30-17-8-12-19(13-9-17)35-24(27,28)29/h1-13,20,22H,14H2,(H,30,33)
InChIKeyXBMSMISOXDKIDQ-UHFFFAOYSA-N
XLogP6.22
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide with MolForge

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Related Compounds

Metaflumizone
CID 11614934
N,3-bis(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno(1,2-c)pyrazole-2-carboxamide
CID 53364309
5-(4-bromophenyl)-3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 134139103
2-(4-methoxyphenyl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299306
3-(4-methoxyphenyl)-N,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 2925067
Metaflumizone, (Z)-
CID 9827529
Hydrazinecarboxamide, 2-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]-N-[4-(trifluoromethoxy)phenyl]-
CID 20056430
3,5-bis(4-methoxyphenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
CID 2952748
N-(4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56680161
Propiophenone, 3-(diethylamino)-, 4-(p-methoxyphenyl)semicarbazone, hydrochloride
CID 24843878
Propiophenone, 3-(dimethylamino)-, 4-(p-methoxyphenyl)semicarbazone, hydrochloride
CID 24843887
1-(3,4-Difluorophenyl)-3-{2-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]ethyl}urea
CID 25816479

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide (CID 13274986) is 5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC(c2ccccc2)C(c2ccc(OC(F)F)cc2)=N1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is XBMSMISOXDKIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O3/c25-22(26)34-18-10-6-16(7-11-18)21-20(15-4-2-1-3-5-15)14-32(31-21)23(33)30-17-8-12-19(13-9-17)35-24(27,28)29/h1-13,20,22H,14H2,(H,30,33).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 491.42 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 13274986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).