4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol

C15H26N2O — CID 58256803

IUPAC4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol
SMILESCC(C)c1cc(C(C)C)n(C2CCC(O)CC2)n1
InChIInChI=1S/C15H26N2O/c1-10(2)14-9-15(11(3)4)17(16-14)12-5-7-13(18)8-6-12/h9-13,18H,5-8H2,1-4H3
InChIKeyLTOMZMFSMWIWTP-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.61
Rot. Bonds3

About 4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol

4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 58256803) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol
PubChem CID58256803
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol
SMILESCC(C)c1cc(C(C)C)n(C2CCC(O)CC2)n1
InChIInChI=1S/C15H26N2O/c1-10(2)14-9-15(11(3)4)17(16-14)12-5-7-13(18)8-6-12/h9-13,18H,5-8H2,1-4H3
InChIKeyLTOMZMFSMWIWTP-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol (CID 58256803) is 4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol is CC(C)c1cc(C(C)C)n(C2CCC(O)CC2)n1.
What is the InChIKey of 4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is LTOMZMFSMWIWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(2)14-9-15(11(3)4)17(16-14)12-5-7-13(18)8-6-12/h9-13,18H,5-8H2,1-4H3.
What are the key properties of 4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol?
4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 58256803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).