1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol

C14H23ClN2O — CID 114636022

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2c(Cl)cnn2C(C)C)C1
InChIInChI=1S/C14H23ClN2O/c1-9(2)17-13(12(15)8-16-17)14(18)6-10(3)5-11(4)7-14/h8-11,18H,5-7H2,1-4H3
InChIKeyVXYVUVNLKPOLFL-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.76
Rot. Bonds2

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 114636022) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol
PubChem CID114636022
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2c(Cl)cnn2C(C)C)C1
InChIInChI=1S/C14H23ClN2O/c1-9(2)17-13(12(15)8-16-17)14(18)6-10(3)5-11(4)7-14/h8-11,18H,5-7H2,1-4H3
InChIKeyVXYVUVNLKPOLFL-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol
CID 103564145
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635852
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663731
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol
CID 114635824
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3,3,5-trimethylcyclohexan-1-ol
CID 114633147
1-adamantyl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114649892
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol
CID 114638690
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol
CID 114636158
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,5-dimethylcyclohexan-1-ol
CID 114636081
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone
CID 114640773
2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114665077
3-(4-bromo-1-propan-2-ylpyrazol-5-yl)thietan-3-ol
CID 131123184

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol (CID 114636022) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)CC(O)(c2c(Cl)cnn2C(C)C)C1.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is VXYVUVNLKPOLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-9(2)17-13(12(15)8-16-17)14(18)6-10(3)5-11(4)7-14/h8-11,18H,5-7H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 270.80 g/mol, XLogP of 3.76, 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-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 114636022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).