(4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol

C15H20N2O2 — CID 105098336

IUPAC(4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCCCCOc1ccc(C(O)c2ccnn2C)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-11-19-13-7-5-12(6-8-13)15(18)14-9-10-16-17(14)2/h5-10,15,18H,3-4,11H2,1-2H3
InChIKeyWOTVMDCLTSYOAQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.68
Rot. Bonds6

About (4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol

(4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 105098336) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol
PubChem CID105098336
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCCCCOc1ccc(C(O)c2ccnn2C)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-11-19-13-7-5-12(6-8-13)15(18)14-9-10-16-17(14)2/h5-10,15,18H,3-4,11H2,1-2H3
InChIKeyWOTVMDCLTSYOAQ-UHFFFAOYSA-N
XLogP2.68
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methylpyrazol-3-yl)-(4-propoxyphenyl)methanol
CID 63961553
(2-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63961352
(4-ethylphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63962198
(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63963696
(4-butoxyphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 105129781
(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol
CID 105132514
(4-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 11550333
bis(4-octoxyphenyl)methanol
CID 139262063
(2-methylpyrazol-3-yl)-(2-propoxyphenyl)methanol
CID 114554144
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123968

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol (CID 105098336) is (4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol is CCCCOc1ccc(C(O)c2ccnn2C)cc1.
What is the InChIKey of (4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is WOTVMDCLTSYOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-11-19-13-7-5-12(6-8-13)15(18)14-9-10-16-17(14)2/h5-10,15,18H,3-4,11H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
(4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 260.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 105098336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).