1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol

C16H30N2O — CID 155739466

IUPAC1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol
SMILESCC(C)CCO.Cc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C11H18N2.C5H12O/c1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-5(2)3-4-6/h7-8,11H,2-6,9H2,1H3;5-6H,3-4H2,1-2H3
InChIKeyGIGCVQWOZVFRMB-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.80
Rot. Bonds4

About 1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol

1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol (PubChem CID 155739466) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol
PubChem CID155739466
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol
SMILESCC(C)CCO.Cc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C11H18N2.C5H12O/c1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-5(2)3-4-6/h7-8,11H,2-6,9H2,1H3;5-6H,3-4H2,1-2H3
InChIKeyGIGCVQWOZVFRMB-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol
CID 153390723
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 153390633
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
5-(cycloheptylmethyl)-2-methylimidazo[4,5-d]pyridazine;methanamine
CID 143924953
2-[cyclohexyl-[2-(4-methylpyrazol-1-yl)ethyl]amino]ethanol
CID 113234362
N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide
CID 166351619
1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole
CID 126947287
(4-methylpyrazol-1-yl)methanol
CID 7172181
[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72891602
3-(2-methylpropoxy)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 95349364

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol?
The IUPAC name of 1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol (CID 155739466) is 1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol?
The canonical SMILES for 1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol is CC(C)CCO.Cc1cnn(CC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol?
The InChIKey is GIGCVQWOZVFRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C5H12O/c1-10-7-12-13(8-10)9-11-5-3-2-4-6-11;1-5(2)3-4-6/h7-8,11H,2-6,9H2,1H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol?
1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol is sourced from PubChem (CID 155739466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).