2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol

C14H24N2O — CID 103006430

IUPAC2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
SMILESCn1nccc1CCC1(O)CCCCC1(C)C
InChIInChI=1S/C14H24N2O/c1-13(2)8-4-5-9-14(13,17)10-6-12-7-11-15-16(12)3/h7,11,17H,4-6,8-10H2,1-3H3
InChIKeyNXFOHUSRSFEPNB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.68
Rot. Bonds3

About 2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol

2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol (PubChem CID 103006430) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
PubChem CID103006430
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
SMILESCn1nccc1CCC1(O)CCCCC1(C)C
InChIInChI=1S/C14H24N2O/c1-13(2)8-4-5-9-14(13,17)10-6-12-7-11-15-16(12)3/h7,11,17H,4-6,8-10H2,1-3H3
InChIKeyNXFOHUSRSFEPNB-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentane-1-carboxylic acid
CID 103005051
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005724
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103005702
5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
CID 103018381
3-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol
CID 103006277
1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol
CID 103006613
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014466
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
CID 103014617
1-(1-methoxycyclobutyl)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103558995
3-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103006588
2-(1-hydroxycyclopentyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 111464411
5-[2-(2-cyclopropylpyrrolidin-2-yl)ethyl]-1-methylpyrazole
CID 103010977

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol (CID 103006430) is 2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol is Cn1nccc1CCC1(O)CCCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
The InChIKey is NXFOHUSRSFEPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2)8-4-5-9-14(13,17)10-6-12-7-11-15-16(12)3/h7,11,17H,4-6,8-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol?
2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 103006430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).