(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol

C15H19BrN2O2 — CID 105132514

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol
SMILESCCCCOc1ccc(C(O)c2c(Br)cnn2C)cc1
InChIInChI=1S/C15H19BrN2O2/c1-3-4-9-20-12-7-5-11(6-8-12)15(19)14-13(16)10-17-18(14)2/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyKCRMZZLBSWAJHW-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.44
Rot. Bonds6

About (4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol

(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol (PubChem CID 105132514) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol
PubChem CID105132514
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol
SMILESCCCCOc1ccc(C(O)c2c(Br)cnn2C)cc1
InChIInChI=1S/C15H19BrN2O2/c1-3-4-9-20-12-7-5-11(6-8-12)15(19)14-13(16)10-17-18(14)2/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyKCRMZZLBSWAJHW-UHFFFAOYSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.44
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

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CID 105129781
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(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
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bis(4-octoxyphenyl)methanol
CID 139262063
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methanol
CID 103217178
(2-methylpyrazol-3-yl)-(4-propoxyphenyl)methanol
CID 63961553
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 114646039
(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114634255
1-(4-butoxyphenyl)propan-1-ol
CID 19979001

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol (CID 105132514) is (4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol is CCCCOc1ccc(C(O)c2c(Br)cnn2C)cc1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol?
The InChIKey is KCRMZZLBSWAJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-3-4-9-20-12-7-5-11(6-8-12)15(19)14-13(16)10-17-18(14)2/h5-8,10,15,19H,3-4,9H2,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol has a molecular weight of 339.23 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(4-butoxyphenyl)methanol is sourced from PubChem (CID 105132514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).