[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone

C14H11Cl2F3N2O2 — CID 3689721

IUPAC[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1NC(C2CC2)=CC1(O)C(F)(F)F
InChIInChI=1S/C14H11Cl2F3N2O2/c15-8-3-4-9(10(16)5-8)12(22)21-13(23,14(17,18)19)6-11(20-21)7-1-2-7/h3-7,20,23H,1-2H2
InChIKeyRYYDLPXLAFZMMC-UHFFFAOYSA-N
MW367.15 g/mol
LogP3.50
Rot. Bonds2

About [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone

[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 3689721) has the molecular formula C14H11Cl2F3N2O2 and a molecular weight of 367.15 g/mol. Its IUPAC name is [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone
PubChem CID3689721
Molecular FormulaC14H11Cl2F3N2O2
Molecular Weight367.15 g/mol
Exact Mass366.01
IUPAC Name[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1NC(C2CC2)=CC1(O)C(F)(F)F
InChIInChI=1S/C14H11Cl2F3N2O2/c15-8-3-4-9(10(16)5-8)12(22)21-13(23,14(17,18)19)6-11(20-21)7-1-2-7/h3-7,20,23H,1-2H2
InChIKeyRYYDLPXLAFZMMC-UHFFFAOYSA-N
XLogP3.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(4,6-dimethyl-2-oxopyridin-1(2H)-yl)benzamide
CID 4862793
[(3S)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone
CID 1726857
[(3R)-5-butyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-chlorophenyl)methanone
CID 1726858
(4-chlorophenyl)-[(3S)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1897403
(4-chlorophenyl)-[(3R)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1897404
[(3S)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-phenylmethanone
CID 1900357
[(3R)-5-(4-chlorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-phenylmethanone
CID 1900358
(3-chlorophenyl)-[(3S)-5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1914583
(3-chlorophenyl)-[(3R)-5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1914584
(3-chlorophenyl)-[(3S)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1915693
(3-chlorophenyl)-[(3R)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1915694
(4-chlorophenyl)-[(3S)-3-hydroxy-3,5-bis(trifluoromethyl)-1H-pyrazol-2-yl]methanone
CID 1915771

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone (CID 3689721) is [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)N1NC(C2CC2)=CC1(O)C(F)(F)F.
What is the InChIKey of [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is RYYDLPXLAFZMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2O2/c15-8-3-4-9(10(16)5-8)12(22)21-13(23,14(17,18)19)6-11(20-21)7-1-2-7/h3-7,20,23H,1-2H2.
What are the key properties of [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone?
[5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 367.15 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 3689721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).