2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol

C15H26N2O — CID 103006543

IUPAC2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)CCc1cnn(C)c1
InChIInChI=1S/C15H26N2O/c1-12-9-14(2,3)7-8-15(12,18)6-5-13-10-16-17(4)11-13/h10-12,18H,5-9H2,1-4H3
InChIKeyNULSSGSIDMTDSB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.93
Rot. Bonds3

About 2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol

2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol (PubChem CID 103006543) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
PubChem CID103006543
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)CCc1cnn(C)c1
InChIInChI=1S/C15H26N2O/c1-12-9-14(2,3)7-8-15(12,18)6-5-13-10-16-17(4)11-13/h10-12,18H,5-9H2,1-4H3
InChIKeyNULSSGSIDMTDSB-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006532
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
3-amino-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006526
3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
CID 106874124
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 103007104
3-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103006388
1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol
CID 103005851
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropyl]ethanol
CID 106798118
2,2,5,5-tetramethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-ol
CID 103006433
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103014043
4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103007085

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol (CID 103006543) is 2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol is CC1CC(C)(C)CCC1(O)CCc1cnn(C)c1.
What is the InChIKey of 2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol?
The InChIKey is NULSSGSIDMTDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-9-14(2,3)7-8-15(12,18)6-5-13-10-16-17(4)11-13/h10-12,18H,5-9H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol?
2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 103006543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).