2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone

C26H20F3N3O — CID 58302703

IUPAC2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
SMILESO=C(Cc1cccc(-c2[nH]ncc2-c2ccncc2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H20F3N3O/c27-26(28,29)21-6-4-20(5-7-21)25(10-11-25)23(33)15-17-2-1-3-19(14-17)24-22(16-31-32-24)18-8-12-30-13-9-18/h1-9,12-14,16H,10-11,15H2,(H,31,32)
InChIKeySNQYPBOSTLBPSH-UHFFFAOYSA-N
MW447.46 g/mol
LogP6.00
Rot. Bonds6

About 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone

2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone (PubChem CID 58302703) has the molecular formula C26H20F3N3O and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
PubChem CID58302703
Molecular FormulaC26H20F3N3O
Molecular Weight447.46 g/mol
Exact Mass447.16
IUPAC Name2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
SMILESO=C(Cc1cccc(-c2[nH]ncc2-c2ccncc2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H20F3N3O/c27-26(28,29)21-6-4-20(5-7-21)25(10-11-25)23(33)15-17-2-1-3-19(14-17)24-22(16-31-32-24)18-8-12-30-13-9-18/h1-9,12-14,16H,10-11,15H2,(H,31,32)
InChIKeySNQYPBOSTLBPSH-UHFFFAOYSA-N
XLogP6.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.46
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
3-[2-methyl-4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzamide
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N-(2-phenylphenyl)-8-(3-pyridin-3-yl-1H-pyrazol-5-yl)octanamide
CID 137633232
(E)-1-phenyl-3-(1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl)prop-2-en-1-one
CID 5337381
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70706767
4-{3-[4-(Trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-pyridine
CID 2782733
3-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pyridine
CID 135066095
phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 135066255
(E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 6271099
5-[3-(1H-pyrazol-3-yl)phenyl]-2-(trifluoromethyl)pyridine
CID 29055922
N-Methyl-N-[2-(pyridin-2-YL)ethyl]-4-{3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-YL}benzamide
CID 46091600
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 46995699

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone?
The IUPAC name of 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone (CID 58302703) is 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone.
What is the SMILES notation for 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone?
The canonical SMILES for 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone is O=C(Cc1cccc(-c2[nH]ncc2-c2ccncc2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone?
The InChIKey is SNQYPBOSTLBPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O/c27-26(28,29)21-6-4-20(5-7-21)25(10-11-25)23(33)15-17-2-1-3-19(14-17)24-22(16-31-32-24)18-8-12-30-13-9-18/h1-9,12-14,16H,10-11,15H2,(H,31,32).
What are the key properties of 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone?
2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone has a molecular weight of 447.46 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone is sourced from PubChem (CID 58302703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).