[5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol

C15H20N2O — CID 93186327

IUPAC[5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol
SMILESCCCCc1ccc(-c2cc(CO)nn2C)cc1
InChIInChI=1S/C15H20N2O/c1-3-4-5-12-6-8-13(9-7-12)15-10-14(11-18)16-17(15)2/h6-10,18H,3-5,11H2,1-2H3
InChIKeyCMUWXUBRLAXXOL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.92
Rot. Bonds5

About [5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol

[5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol (PubChem CID 93186327) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol
PubChem CID93186327
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol
SMILESCCCCc1ccc(-c2cc(CO)nn2C)cc1
InChIInChI=1S/C15H20N2O/c1-3-4-5-12-6-8-13(9-7-12)15-10-14(11-18)16-17(15)2/h6-10,18H,3-5,11H2,1-2H3
InChIKeyCMUWXUBRLAXXOL-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol
CID 82049017
3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole
CID 135066490
4-(4-butylphenyl)-1-methylimidazole
CID 82078465
3-(1-methyl-5-phenylpyrazol-3-yl)propan-1-amine
CID 105469039
[5-(4-butylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 115492816
(5-ethyl-1-methylpyrazol-3-yl)methanol
CID 23005581
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
4-(4-butylphenyl)-1-(3-chloropropyl)imidazole
CID 10265489
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
[2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867649
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744

Frequently Asked Questions

What is the IUPAC name of [5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol?
The IUPAC name of [5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol (CID 93186327) is [5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol?
The canonical SMILES for [5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol is CCCCc1ccc(-c2cc(CO)nn2C)cc1.
What is the InChIKey of [5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol?
The InChIKey is CMUWXUBRLAXXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-4-5-12-6-8-13(9-7-12)15-10-14(11-18)16-17(15)2/h6-10,18H,3-5,11H2,1-2H3.
What are the key properties of [5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol?
[5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol has a molecular weight of 244.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 93186327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).