1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol

C14H24N2O — CID 82870101

IUPAC1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCCC1(O)Cc1ccn(C)n1
InChIInChI=1S/C14H24N2O/c1-11(2)13-6-4-5-8-14(13,17)10-12-7-9-16(3)15-12/h7,9,11,13,17H,4-6,8,10H2,1-3H3
InChIKeySWTUFHOEWDCFTA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.54
Rot. Bonds3

About 1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol

1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol (PubChem CID 82870101) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol
PubChem CID82870101
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCCC1(O)Cc1ccn(C)n1
InChIInChI=1S/C14H24N2O/c1-11(2)13-6-4-5-8-14(13,17)10-12-7-9-16(3)15-12/h7,9,11,13,17H,4-6,8,10H2,1-3H3
InChIKeySWTUFHOEWDCFTA-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869673
1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
CID 82870077
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82869975
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869191
1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107190490
2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82870793
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091
1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 82871368
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
[1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 107194571
4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 82869439

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol (CID 82870101) is 1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCCC1(O)Cc1ccn(C)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is SWTUFHOEWDCFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)13-6-4-5-8-14(13,17)10-12-7-9-16(3)15-12/h7,9,11,13,17H,4-6,8,10H2,1-3H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol?
1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 82870101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).