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

C14H11Cl2F3N2O2 — CID 27520023

IUPAC[(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1N=C(C2CC2)C[C@]1(O)C(F)(F)F
InChIInChI=1S/C14H11Cl2F3N2O2/c15-8-3-4-10(16)9(5-8)12(22)21-13(23,14(17,18)19)6-11(20-21)7-1-2-7/h3-5,7,23H,1-2,6H2/t13-/m0/s1
InChIKeyUUAUANRSKRMEHY-ZDUSSCGKSA-N
MW367.15 g/mol
LogP3.86
Rot. Bonds2

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

[(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 27520023) has the molecular formula C14H11Cl2F3N2O2 and a molecular weight of 367.15 g/mol. Its IUPAC name is [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone
PubChem CID27520023
Molecular FormulaC14H11Cl2F3N2O2
Molecular Weight367.15 g/mol
Exact Mass366.01
IUPAC Name[(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1N=C(C2CC2)C[C@]1(O)C(F)(F)F
InChIInChI=1S/C14H11Cl2F3N2O2/c15-8-3-4-10(16)9(5-8)12(22)21-13(23,14(17,18)19)6-11(20-21)7-1-2-7/h3-5,7,23H,1-2,6H2/t13-/m0/s1
InChIKeyUUAUANRSKRMEHY-ZDUSSCGKSA-N
XLogP3.86
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 2881876
(2-bromophenyl)-[(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 40622435
(5-chloro-2-hydroxyphenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3288494
[(5R)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-hydroxyphenyl)methanone
CID 1364904
[(5R)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1231719
[(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 1079190
(2-chlorophenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 2859270
(4-chlorophenyl)-[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 713907
(2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3723843
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 7302769
[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
CID 2916640
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 1368080

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone (CID 27520023) is [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)N1N=C(C2CC2)C[C@]1(O)C(F)(F)F.
What is the InChIKey of [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is UUAUANRSKRMEHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2O2/c15-8-3-4-10(16)9(5-8)12(22)21-13(23,14(17,18)19)6-11(20-21)7-1-2-7/h3-5,7,23H,1-2,6H2/t13-/m0/s1.
What are the key properties of [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone?
[(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 367.15 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 27520023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).