4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol

C14H17BrN2O — CID 67958093

IUPAC4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol
SMILESCn1ncc(Br)c1C(CCCO)c1ccccc1
InChIInChI=1S/C14H17BrN2O/c1-17-14(13(15)10-16-17)12(8-5-9-18)11-6-3-2-4-7-11/h2-4,6-7,10,12,18H,5,8-9H2,1H3
InChIKeyOAFNEBCAWCBSKE-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.09
Rot. Bonds5

About 4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol

4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol (PubChem CID 67958093) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol
PubChem CID67958093
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol
SMILESCn1ncc(Br)c1C(CCCO)c1ccccc1
InChIInChI=1S/C14H17BrN2O/c1-17-14(13(15)10-16-17)12(8-5-9-18)11-6-3-2-4-7-11/h2-4,6-7,10,12,18H,5,8-9H2,1H3
InChIKeyOAFNEBCAWCBSKE-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol
CID 114643164
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105054099
[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105342210
(4-bromo-1-methylpyrazol-5-yl)-(2-fluorophenyl)methanol
CID 114634713
2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol
CID 167129375
4-(3-bromothiophen-2-yl)-4-phenylbutan-1-ol
CID 67958084
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(4-bromo-1-methylpyrazol-5-yl)-3-ethylsulfanylpropan-1-ol
CID 114638589
3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586350
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
4-fluoro-4-phenylbutan-1-ol
CID 57250871
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanylethanol
CID 114644295

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol?
The IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol (CID 67958093) is 4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol.
What is the SMILES notation for 4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol?
The canonical SMILES for 4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol is Cn1ncc(Br)c1C(CCCO)c1ccccc1.
What is the InChIKey of 4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol?
The InChIKey is OAFNEBCAWCBSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-17-14(13(15)10-16-17)12(8-5-9-18)11-6-3-2-4-7-11/h2-4,6-7,10,12,18H,5,8-9H2,1H3.
What are the key properties of 4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol?
4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol has a molecular weight of 309.21 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol is sourced from PubChem (CID 67958093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).