1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol

C16H21BrN2O — CID 105128026

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCCCn1ncc(Br)c1C(O)CCc1ccc(C)cc1
InChIInChI=1S/C16H21BrN2O/c1-3-10-19-16(14(17)11-18-19)15(20)9-8-13-6-4-12(2)5-7-13/h4-7,11,15,20H,3,8-10H2,1-2H3
InChIKeyUFTXVEKYEDBKPK-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.03
Rot. Bonds6

About 1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol

1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 105128026) 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)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
PubChem CID105128026
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCCCn1ncc(Br)c1C(O)CCc1ccc(C)cc1
InChIInChI=1S/C16H21BrN2O/c1-3-10-19-16(14(17)11-18-19)15(20)9-8-13-6-4-12(2)5-7-13/h4-7,11,15,20H,3,8-10H2,1-2H3
InChIKeyUFTXVEKYEDBKPK-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128368
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115835103
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
(4-bromo-1-propylpyrazol-5-yl)-(4-ethylphenyl)methanol
CID 114634794
3-(4-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 105080738
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(4-methylphenyl)propan-1-ol
CID 105132635
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol
CID 105128554

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol (CID 105128026) is 1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol is CCCn1ncc(Br)c1C(O)CCc1ccc(C)cc1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is UFTXVEKYEDBKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-3-10-19-16(14(17)11-18-19)15(20)9-8-13-6-4-12(2)5-7-13/h4-7,11,15,20H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol?
1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 337.26 g/mol, XLogP of 4.03, 6 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)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 105128026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).