(2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C18H20ClF3N2O2 — CID 2959339

IUPAC(2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCc1ccc(C(=O)N2N=C(C3CCCCC3)CC2(O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H20ClF3N2O2/c1-11-7-8-13(14(19)9-11)16(25)24-17(26,18(20,21)22)10-15(23-24)12-5-3-2-4-6-12/h7-9,12,26H,2-6,10H2,1H3
InChIKeyRVVFLLXPMSYIOX-UHFFFAOYSA-N
MW388.82 g/mol
LogP4.68
Rot. Bonds2

About (2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

(2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 2959339) has the molecular formula C18H20ClF3N2O2 and a molecular weight of 388.82 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID2959339
Molecular FormulaC18H20ClF3N2O2
Molecular Weight388.82 g/mol
Exact Mass388.12
IUPAC Name(2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCc1ccc(C(=O)N2N=C(C3CCCCC3)CC2(O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H20ClF3N2O2/c1-11-7-8-13(14(19)9-11)16(25)24-17(26,18(20,21)22)10-15(23-24)12-5-3-2-4-6-12/h7-9,12,26H,2-6,10H2,1H3
InChIKeyRVVFLLXPMSYIOX-UHFFFAOYSA-N
XLogP4.68
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S)-3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2,5-dichlorophenyl)methanone
CID 27520023
[(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]-(2-methylquinolin-4-yl)methanone
CID 1231790
tert-butyl 3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
CID 5136387
1-[(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
CID 94798233
(2-chloro-4-methylphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 885739
(5-chloro-2-hydroxyphenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3288494
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-hydroxyphenyl)methanone
CID 578749
(4-chloro-3-methylphenyl)-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]methanone
CID 46500380
(2-chlorophenyl)-[(5S)-5-hydroxy-3-pentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 7182302
(2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 3723843
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 2959339) is (2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is Cc1ccc(C(=O)N2N=C(C3CCCCC3)CC2(O)C(F)(F)F)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is RVVFLLXPMSYIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N2O2/c1-11-7-8-13(14(19)9-11)16(25)24-17(26,18(20,21)22)10-15(23-24)12-5-3-2-4-6-12/h7-9,12,26H,2-6,10H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
(2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 388.82 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 2959339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).