3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide

C28H21F3N4O2 — CID 59463317

IUPAC3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(C(F)(F)F)cc1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C28H21F3N4O2/c29-28(30,31)20-13-11-18(12-14-20)21-7-1-3-9-23(21)33-27(37)35-25(22-8-2-4-10-26(22)36)16-24(34-35)19-6-5-15-32-17-19/h1-15,17,25,36H,16H2,(H,33,37)
InChIKeyKNVXFRLUJRUEGO-UHFFFAOYSA-N
MW502.50 g/mol
LogP6.86
Rot. Bonds4

About 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide

3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 59463317) has the molecular formula C28H21F3N4O2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID59463317
Molecular FormulaC28H21F3N4O2
Molecular Weight502.50 g/mol
Exact Mass502.16
IUPAC Name3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(C(F)(F)F)cc1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C28H21F3N4O2/c29-28(30,31)20-13-11-18(12-14-20)21-7-1-3-9-23(21)33-27(37)35-25(22-8-2-4-10-26(22)36)16-24(34-35)19-6-5-15-32-17-19/h1-15,17,25,36H,16H2,(H,33,37)
InChIKeyKNVXFRLUJRUEGO-UHFFFAOYSA-N
XLogP6.86
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.50
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide (CID 59463317) is 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccccc1-c1ccc(C(F)(F)F)cc1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is KNVXFRLUJRUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O2/c29-28(30,31)20-13-11-18(12-14-20)21-7-1-3-9-23(21)33-27(37)35-25(22-8-2-4-10-26(22)36)16-24(34-35)19-6-5-15-32-17-19/h1-15,17,25,36H,16H2,(H,33,37).
What are the key properties of 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide?
3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 6.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 59463317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).