3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol

C14H21F3N2O — CID 103027884

IUPAC3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESCn1cc(CCC(O)C2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C14H21F3N2O/c1-19-9-10(8-18-19)2-7-13(20)11-3-5-12(6-4-11)14(15,16)17/h8-9,11-13,20H,2-7H2,1H3
InChIKeyAZELRRSMZZQODS-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.08
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol

3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol (PubChem CID 103027884) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
PubChem CID103027884
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESCn1cc(CCC(O)C2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C14H21F3N2O/c1-19-9-10(8-18-19)2-7-13(20)11-3-5-12(6-4-11)14(15,16)17/h8-9,11-13,20H,2-7H2,1H3
InChIKeyAZELRRSMZZQODS-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Difluoro-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclohexan-1-ol
CID 89962237
trans-(1S,2R)-5,5-difluoro-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclohexan-1-ol
CID 89962238
4,4-Difluoro-1-[1-(methoxymethyl)-1H-pyrazol-4-yl]cyclohexanol
CID 89962338
5,5-Difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 89963305
trans-(1S,2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 89963306
(2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 122657932
(2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol
CID 134364541
(3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
CID 135352089
1-(1-Methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
CID 135352090
(6S)-4-ethyl-1,1-difluoro-8-hydroxy-2,2-dimethyl-6-(1-methylpyrazol-4-yl)octan-3-one
CID 145323842
(3,3-Difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane
CID 163383977
(3,3-Difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol
CID 163383978

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol (CID 103027884) is 3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol is Cn1cc(CCC(O)C2CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
The InChIKey is AZELRRSMZZQODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-19-9-10(8-18-19)2-7-13(20)11-3-5-12(6-4-11)14(15,16)17/h8-9,11-13,20H,2-7H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol has a molecular weight of 290.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 103027884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).