1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol

C16H21BrN2O — CID 115835103

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol
SMILESCCCn1ncc(Br)c1C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C16H21BrN2O/c1-4-7-19-16(14(17)10-18-19)15(20)9-13-8-11(2)5-6-12(13)3/h5-6,8,10,15,20H,4,7,9H2,1-3H3
InChIKeyPDEOIKOGKXBNRQ-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.95
Rot. Bonds5

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol

1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol (PubChem CID 115835103) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol
PubChem CID115835103
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol
SMILESCCCn1ncc(Br)c1C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C16H21BrN2O/c1-4-7-19-16(14(17)10-18-19)15(20)9-13-8-11(2)5-6-12(13)3/h5-6,8,10,15,20H,4,7,9H2,1-3H3
InChIKeyPDEOIKOGKXBNRQ-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,5-dimethylphenyl)ethanol
CID 115835849
1-(4-bromo-1-propylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105128010
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 105040397
1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128026
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960
(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835104
(5-bromo-2-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835016
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115835068
(4-bromo-1-propylpyrazol-5-yl)-(2-methoxy-5-methylphenyl)methanol
CID 115835105
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
CID 114648837

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol (CID 115835103) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol is CCCn1ncc(Br)c1C(O)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol?
The InChIKey is PDEOIKOGKXBNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-4-7-19-16(14(17)10-18-19)15(20)9-13-8-11(2)5-6-12(13)3/h5-6,8,10,15,20H,4,7,9H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol?
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol has a molecular weight of 337.26 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 115835103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).