N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide

C24H22FN3O2 — CID 134148112

IUPACN-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)CC1(CCO)c1ccccc1
InChIInChI=1S/C24H22FN3O2/c25-20-11-13-21(14-12-20)26-23(30)28-24(15-16-29,19-9-5-2-6-10-19)17-22(27-28)18-7-3-1-4-8-18/h1-14,29H,15-17H2,(H,26,30)
InChIKeyVJJOJVPAQRYRQP-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.75
Rot. Bonds5

About N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide

N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide (PubChem CID 134148112) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide
PubChem CID134148112
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)CC1(CCO)c1ccccc1
InChIInChI=1S/C24H22FN3O2/c25-20-11-13-21(14-12-20)26-23(30)28-24(15-16-29,19-9-5-2-6-10-19)17-22(27-28)18-7-3-1-4-8-18/h1-14,29H,15-17H2,(H,26,30)
InChIKeyVJJOJVPAQRYRQP-UHFFFAOYSA-N
XLogP4.75
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(4-fluorophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 10833431
N-(4-fluorophenyl)-5-(methoxymethyl)-5-(4-methylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134145629
N,5-bis(4-fluorophenyl)-5-(hydroxymethyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134147928
N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134149384
N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 134156846
5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 138968142
(3R)-3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 1234180
(3S)-3,5-bis(4-fluorophenyl)-N-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 1234181
3-(4-fluorophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 10689814
N,3-bis(4-fluorophenyl)-5,5-dimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 134124961
N-(4-benzylphenyl)-3-(2-hydroxycyclohexa-2,4-dien-1-yl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 71081279
1-[(2-Hydroxy-1,2-diphenylethylidene)amino]-3-phenylurea
CID 85634567

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide (CID 134148112) is N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide is O=C(Nc1ccc(F)cc1)N1N=C(c2ccccc2)CC1(CCO)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide?
The InChIKey is VJJOJVPAQRYRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-20-11-13-21(14-12-20)26-23(30)28-24(15-16-29,19-9-5-2-6-10-19)17-22(27-28)18-7-3-1-4-8-18/h1-14,29H,15-17H2,(H,26,30).
What are the key properties of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide?
N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(2-hydroxyethyl)-3,5-diphenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 134148112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).