3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol

C14H21F3N2O — CID 103028066

IUPAC3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESCn1nccc1CCC(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c1-19-12(7-8-18-19)5-6-13(20)10-3-2-4-11(9-10)14(15,16)17/h7-8,10-11,13,20H,2-6,9H2,1H3
InChIKeyBHZXFDMTMPUOOX-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.08
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol

3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol (PubChem CID 103028066) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol
PubChem CID103028066
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESCn1nccc1CCC(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c1-19-12(7-8-18-19)5-6-13(20)10-3-2-4-11(9-10)14(15,16)17/h7-8,10-11,13,20H,2-6,9H2,1H3
InChIKeyBHZXFDMTMPUOOX-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol (CID 103028066) is 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol is Cn1nccc1CCC(O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol?
The InChIKey is BHZXFDMTMPUOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-19-12(7-8-18-19)5-6-13(20)10-3-2-4-11(9-10)14(15,16)17/h7-8,10-11,13,20H,2-6,9H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol?
3-(2-methylpyrazol-3-yl)-1-[3-(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-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 103028066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).