2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol

C16H27ClN2O — CID 114665077

IUPAC2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2c(Cl)cnn2C(C)C)C(O)C1
InChIInChI=1S/C16H27ClN2O/c1-10(2)19-15(13(17)9-18-19)16(4,5)12-7-6-11(3)8-14(12)20/h9-12,14,20H,6-8H2,1-5H3
InChIKeyOMHOFLFGXFOPPZ-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.19
Rot. Bonds3

About 2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol

2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 114665077) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID114665077
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2c(Cl)cnn2C(C)C)C(O)C1
InChIInChI=1S/C16H27ClN2O/c1-10(2)19-15(13(17)9-18-19)16(4,5)12-7-6-11(3)8-14(12)20/h9-12,14,20H,6-8H2,1-5H3
InChIKeyOMHOFLFGXFOPPZ-UHFFFAOYSA-N
XLogP4.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol (CID 114665077) is 2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol is CC1CCC(C(C)(C)c2c(Cl)cnn2C(C)C)C(O)C1.
What is the InChIKey of 2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is OMHOFLFGXFOPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-10(2)19-15(13(17)9-18-19)16(4,5)12-7-6-11(3)8-14(12)20/h9-12,14,20H,6-8H2,1-5H3.
What are the key properties of 2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol?
2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 298.86 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 114665077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).