[3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol

C15H20N2O2 — CID 54850926

IUPAC[3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol
SMILESCCCCOc1ccc(-c2n[nH]c(C)c2CO)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-9-19-13-7-5-12(6-8-13)15-14(10-18)11(2)16-17-15/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyVTDNZFVQNNQMCJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.06
Rot. Bonds6

About [3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol

[3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol (PubChem CID 54850926) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol
PubChem CID54850926
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol
SMILESCCCCOc1ccc(-c2n[nH]c(C)c2CO)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-9-19-13-7-5-12(6-8-13)15-14(10-18)11(2)16-17-15/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyVTDNZFVQNNQMCJ-UHFFFAOYSA-N
XLogP3.06
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-methyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 54851106
N-[[3-(3-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 54850659
[5-methyl-3-(4-propoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 82371295
N-[[4-methyl-3-(4-octoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847544
3,5-dimethyl-4-[4-(4-methylphenoxy)butyl]-1H-pyrazole
CID 2057777
3,5-dimethyl-4-[6-(4-methylphenoxy)hexyl]-1H-pyrazole
CID 2057791
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
5-(4-octoxyphenyl)-2H-triazole-4-carboxamide
CID 169402171
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
5-amino-3-(4-butoxyphenyl)-1H-pyridazin-6-one
CID 82467525
[2-(4-butoxyphenyl)-4-methyl-1,3-oxazol-5-yl]methanol
CID 143299914

Frequently Asked Questions

What is the IUPAC name of [3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol?
The IUPAC name of [3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol (CID 54850926) is [3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol is CCCCOc1ccc(-c2n[nH]c(C)c2CO)cc1.
What is the InChIKey of [3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol?
The InChIKey is VTDNZFVQNNQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-9-19-13-7-5-12(6-8-13)15-14(10-18)11(2)16-17-15/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of [3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol?
[3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol has a molecular weight of 260.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-butoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 54850926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).