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

C22H17F3N4O2 — CID 18987670

IUPAC5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CC(c2cccnc2)C(c2ccccc2)=N1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)31-18-10-8-17(9-11-18)27-21(30)29-14-19(16-7-4-12-26-13-16)20(28-29)15-5-2-1-3-6-15/h1-13,19H,14H2,(H,27,30)
InChIKeyGHAUWQIXKCTAKN-UHFFFAOYSA-N
MW426.40 g/mol
LogP5.02
Rot. Bonds4

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

5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 18987670) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID18987670
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CC(c2cccnc2)C(c2ccccc2)=N1
InChIInChI=1S/C22H17F3N4O2/c23-22(24,25)31-18-10-8-17(9-11-18)27-21(30)29-14-19(16-7-4-12-26-13-16)20(28-29)15-5-2-1-3-6-15/h1-13,19H,14H2,(H,27,30)
InChIKeyGHAUWQIXKCTAKN-UHFFFAOYSA-N
XLogP5.02
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazole-2-carboxamide
CID 18987687
5-[4-(difluoromethoxy)phenyl]-4-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 13275000
4-(1,3-benzodioxol-5-yl)-5-phenyl-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 134115532
5-[4-(difluoromethoxy)phenyl]-N,4-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 13191329
4-(5-chloro-1,3-thiazol-2-yl)-5-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 15239257
5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14256918
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide;N-(4-chlorophenyl)-4-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 161046518
2-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628110
(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 19852175
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277283
2-[4-(7-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 139628114

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide (CID 18987670) is 5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC(c2cccnc2)C(c2ccccc2)=N1.
What is the InChIKey of 5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is GHAUWQIXKCTAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c23-22(24,25)31-18-10-8-17(9-11-18)27-21(30)29-14-19(16-7-4-12-26-13-16)20(28-29)15-5-2-1-3-6-15/h1-13,19H,14H2,(H,27,30).
What are the key properties of 5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 18987670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).