1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C12H16ClF3N2O — CID 114636088

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCn1ncc(Cl)c1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16ClF3N2O/c1-2-18-10(9(13)7-17-18)11(19)5-3-8(4-6-11)12(14,15)16/h7-8,19H,2-6H2,1H3
InChIKeyBGDKXYOUVUGJPY-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.50
Rot. Bonds2

About 1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol

1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 114636088) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID114636088
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCn1ncc(Cl)c1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16ClF3N2O/c1-2-18-10(9(13)7-17-18)11(19)5-3-8(4-6-11)12(14,15)16/h7-8,19H,2-6H2,1H3
InChIKeyBGDKXYOUVUGJPY-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 114636088) is 1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol is CCn1ncc(Cl)c1C1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is BGDKXYOUVUGJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O/c1-2-18-10(9(13)7-17-18)11(19)5-3-8(4-6-11)12(14,15)16/h7-8,19H,2-6H2,1H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 296.72 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 114636088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).