(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol

C15H19BrN2O2 — CID 115835105

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1cc(C)ccc1OC
InChIInChI=1S/C15H19BrN2O2/c1-4-7-18-14(12(16)9-17-18)15(19)11-8-10(2)5-6-13(11)20-3/h5-6,8-9,15,19H,4,7H2,1-3H3
InChIKeyICOPDQSNLCQQOM-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.45
Rot. Bonds5

About (4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol

(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol (PubChem CID 115835105) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol
PubChem CID115835105
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1cc(C)ccc1OC
InChIInChI=1S/C15H19BrN2O2/c1-4-7-18-14(12(16)9-17-18)15(19)11-8-10(2)5-6-13(11)20-3/h5-6,8-9,15,19H,4,7H2,1-3H3
InChIKeyICOPDQSNLCQQOM-UHFFFAOYSA-N
XLogP3.45
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methoxy-4-methylphenyl)methanol
CID 106790609
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
CID 114634115
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-bromo-4-methylphenyl)methanol
CID 114637670
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
(2-methoxy-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 115836879
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dimethylphenyl)methanol
CID 114634948
(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636783
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835104
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638030
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115835103

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol (CID 115835105) is (4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol is CCCn1ncc(Br)c1C(O)c1cc(C)ccc1OC.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol?
The InChIKey is ICOPDQSNLCQQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-7-18-14(12(16)9-17-18)15(19)11-8-10(2)5-6-13(11)20-3/h5-6,8-9,15,19H,4,7H2,1-3H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol has a molecular weight of 339.23 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol is sourced from PubChem (CID 115835105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).