cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol

C19H23F3N2O — CID 66777501

IUPACcyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCCc1nn(-c2ccc(C(F)(F)F)cc2)cc1C(O)C1CCCCC1
InChIInChI=1S/C19H23F3N2O/c1-2-17-16(18(25)13-6-4-3-5-7-13)12-24(23-17)15-10-8-14(9-11-15)19(20,21)22/h8-13,18,25H,2-7H2,1H3
InChIKeyIWQHIMDYQKWNSZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP5.07
Rot. Bonds4

About cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol

cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (PubChem CID 66777501) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
PubChem CID66777501
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Namecyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCCc1nn(-c2ccc(C(F)(F)F)cc2)cc1C(O)C1CCCCC1
InChIInChI=1S/C19H23F3N2O/c1-2-17-16(18(25)13-6-4-3-5-7-13)12-24(23-17)15-10-8-14(9-11-15)19(20,21)22/h8-13,18,25H,2-7H2,1H3
InChIKeyIWQHIMDYQKWNSZ-UHFFFAOYSA-N
XLogP5.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (CID 66777501) is cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is CCc1nn(-c2ccc(C(F)(F)F)cc2)cc1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The InChIKey is IWQHIMDYQKWNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-2-17-16(18(25)13-6-4-3-5-7-13)12-24(23-17)15-10-8-14(9-11-15)19(20,21)22/h8-13,18,25H,2-7H2,1H3.
What are the key properties of cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol has a molecular weight of 352.40 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66777501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).