(2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol

C14H21F3N2O — CID 105098067

IUPAC(2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCCn1nccc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O/c1-2-9-19-12(7-8-18-19)13(20)10-3-5-11(6-4-10)14(15,16)17/h7-8,10-11,13,20H,2-6,9H2,1H3
InChIKeyZHHZXNKERSSQHZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.70
Rot. Bonds4

About (2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol

(2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105098067) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105098067
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name(2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCCn1nccc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O/c1-2-9-19-12(7-8-18-19)13(20)10-3-5-11(6-4-10)14(15,16)17/h7-8,10-11,13,20H,2-6,9H2,1H3
InChIKeyZHHZXNKERSSQHZ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

adamantan-1-yl(1-methyl-1H-pyrazol-5-yl)methanol
CID 63962636
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CID 63962847
cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
CID 65195367
(1-methyl-1H-pyrazol-5-yl)(piperidin-4-yl)methanol
CID 80560254
2,2,2-trifluoro-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 126973841
(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
CID 139090699
[(2R,3S)-2-(1-ethyl-1H-pyrazol-5-yl)oxan-3-yl]methanol
CID 122155892
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454
[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol
CID 102385474
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
(2-Fluorophenyl)(1-methyl-1H-pyrazol-5-yl)methanol
CID 63961772
cyclohexyl{1-ethyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}methanol
CID 66777663

Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105098067) is (2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is CCCn1nccc1C(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is ZHHZXNKERSSQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-2-9-19-12(7-8-18-19)13(20)10-3-5-11(6-4-10)14(15,16)17/h7-8,10-11,13,20H,2-6,9H2,1H3.
What are the key properties of (2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 290.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrazol-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105098067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).