1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C13H19F3N2O — CID 64756709

IUPAC1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCn1nccc1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c1-2-9-18-11(5-8-17-18)12(19)6-3-10(4-7-12)13(14,15)16/h5,8,10,19H,2-4,6-7,9H2,1H3
InChIKeyCZCYMOHAQYPASO-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.23
Rot. Bonds3

About 1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol

1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64756709) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64756709
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCn1nccc1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c1-2-9-18-11(5-8-17-18)12(19)6-3-10(4-7-12)13(14,15)16/h5,8,10,19H,2-4,6-7,9H2,1H3
InChIKeyCZCYMOHAQYPASO-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 64756709) is 1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol is CCCn1nccc1C1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is CZCYMOHAQYPASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-2-9-18-11(5-8-17-18)12(19)6-3-10(4-7-12)13(14,15)16/h5,8,10,19H,2-4,6-7,9H2,1H3.
What are the key properties of 1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64756709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).