[4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol

C16H28N2O — CID 82870443

IUPAC[4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(Cc2ccn(C)n2)CC1
InChIInChI=1S/C16H28N2O/c1-3-4-5-14-6-9-16(13-19,10-7-14)12-15-8-11-18(2)17-15/h8,11,14,19H,3-7,9-10,12-13H2,1-2H3
InChIKeyZNBATSFVYNKMDA-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.32
Rot. Bonds6

About [4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol

[4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol (PubChem CID 82870443) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is [4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol
PubChem CID82870443
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name[4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(Cc2ccn(C)n2)CC1
InChIInChI=1S/C16H28N2O/c1-3-4-5-14-6-9-16(13-19,10-7-14)12-15-8-11-18(2)17-15/h8,11,14,19H,3-7,9-10,12-13H2,1-2H3
InChIKeyZNBATSFVYNKMDA-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-1-methylpyrazole
CID 82870698
3-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole
CID 66033963
1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 82871247
4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 112745382
[4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol
CID 66026290
4-ethyl-1-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 82869439
[4-butyl-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]methanol
CID 66026724
[1-[(5-bromo-3-pyridinyl)methyl]-4-butylcyclohexyl]methanol
CID 104813121
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82870688
[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentyl]methanamine
CID 82871482
(4-butyl-1-methylcyclohexyl)methanol
CID 66025172
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869191

Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol (CID 82870443) is [4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol is CCCCC1CCC(CO)(Cc2ccn(C)n2)CC1.
What is the InChIKey of [4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol?
The InChIKey is ZNBATSFVYNKMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-4-5-14-6-9-16(13-19,10-7-14)12-15-8-11-18(2)17-15/h8,11,14,19H,3-7,9-10,12-13H2,1-2H3.
What are the key properties of [4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol?
[4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol has a molecular weight of 264.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 82870443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).