(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol

C15H19BrN2O2 — CID 114634115

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1ccccc1OCC
InChIInChI=1S/C15H19BrN2O2/c1-3-9-18-14(12(16)10-17-18)15(19)11-7-5-6-8-13(11)20-4-2/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyFBMVLLAJRBCVKB-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.54
Rot. Bonds6

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

(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol (PubChem CID 114634115) 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-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
PubChem CID114634115
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1ccccc1OCC
InChIInChI=1S/C15H19BrN2O2/c1-3-9-18-14(12(16)10-17-18)15(19)11-7-5-6-8-13(11)20-4-2/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyFBMVLLAJRBCVKB-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634116
(4-bromo-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methanol
CID 114634680
(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol
CID 115835105
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-ethoxyphenyl)methanol
CID 114634109
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794
(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 114636783
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659698
(4-bromo-1-propylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638030

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol (CID 114634115) is (4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol is CCCn1ncc(Br)c1C(O)c1ccccc1OCC.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol?
The InChIKey is FBMVLLAJRBCVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-3-9-18-14(12(16)10-17-18)15(19)11-7-5-6-8-13(11)20-4-2/h5-8,10,15,19H,3-4,9H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(2-ethoxyphenyl)methanol has a molecular weight of 339.23 g/mol, XLogP of 3.54, 6 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-ethoxyphenyl)methanol is sourced from PubChem (CID 114634115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).