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

C18H34N2O — CID 153390723

IUPAC1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol
SMILESCC(C)CCO.CCCc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C13H22N2.C5H12O/c1-2-6-13-9-14-15(11-13)10-12-7-4-3-5-8-12;1-5(2)3-4-6/h9,11-12H,2-8,10H2,1H3;5-6H,3-4H2,1-2H3
InChIKeySMTIPSOOEYNKLL-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.44
Rot. Bonds6

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

1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol (PubChem CID 153390723) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol
PubChem CID153390723
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol
SMILESCC(C)CCO.CCCc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C13H22N2.C5H12O/c1-2-6-13-9-14-15(11-13)10-12-7-4-3-5-8-12;1-5(2)3-4-6/h9,11-12H,2-8,10H2,1H3;5-6H,3-4H2,1-2H3
InChIKeySMTIPSOOEYNKLL-UHFFFAOYSA-N
XLogP4.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol
CID 155739466
1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanol
CID 62729638
1-[1-(cyclopropylmethyl)pyrazol-4-yl]butan-2-amine
CID 62731862
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730353
(3R)-3-[(4-ethylpyrazol-1-yl)methyl]-1-pentylpiperidine
CID 163401467
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
CID 121207451
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 153390633
1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
CID 65462054

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol?
The IUPAC name of 1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol (CID 153390723) is 1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol?
The canonical SMILES for 1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol is CC(C)CCO.CCCc1cnn(CC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol?
The InChIKey is SMTIPSOOEYNKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C5H12O/c1-2-6-13-9-14-15(11-13)10-12-7-4-3-5-8-12;1-5(2)3-4-6/h9,11-12H,2-8,10H2,1H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol?
1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-propylpyrazole;3-methylbutan-1-ol is sourced from PubChem (CID 153390723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).