1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol

C16H19ClN2O — CID 114633240

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol
SMILESCn1ncc(Cl)c1C1(O)CCCCC1c1ccccc1
InChIInChI=1S/C16H19ClN2O/c1-19-15(14(17)11-18-19)16(20)10-6-5-9-13(16)12-7-3-2-4-8-12/h2-4,7-8,11,13,20H,5-6,9-10H2,1H3
InChIKeyBYECUZHPTBVBFX-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.62
Rot. Bonds2

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol

1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol (PubChem CID 114633240) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol
PubChem CID114633240
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol
SMILESCn1ncc(Cl)c1C1(O)CCCCC1c1ccccc1
InChIInChI=1S/C16H19ClN2O/c1-19-15(14(17)11-18-19)16(20)10-6-5-9-13(16)12-7-3-2-4-8-12/h2-4,7-8,11,13,20H,5-6,9-10H2,1H3
InChIKeyBYECUZHPTBVBFX-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-2-phenylcyclohexan-1-ol
CID 106461059
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylthian-3-ol
CID 114636867
1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol
CID 63974813
1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol
CID 114636259
1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol
CID 105393716
1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114633841
1-(1-ethylimidazol-2-yl)-2-phenylcyclohexan-1-ol
CID 63974580
4-chloro-5-(3-chloro-1-methylcyclopentyl)-1-methylpyrazole
CID 114665719
1-(2,5-dimethylphenyl)-2-phenylcyclohexan-1-ol
CID 63407170
1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114636111
1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol
CID 79691792
1-[(2-chlorophenyl)methyl]-2-phenylcyclohexan-1-ol
CID 60798196

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol (CID 114633240) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol is Cn1ncc(Cl)c1C1(O)CCCCC1c1ccccc1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol?
The InChIKey is BYECUZHPTBVBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19-15(14(17)11-18-19)16(20)10-6-5-9-13(16)12-7-3-2-4-8-12/h2-4,7-8,11,13,20H,5-6,9-10H2,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol?
1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol has a molecular weight of 290.79 g/mol, XLogP of 3.62, 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-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 114633240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).