3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol

C12H13BrN2O — CID 117451056

IUPAC3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol
SMILESOCCCc1ccc(-n2cccn2)c(Br)c1
InChIInChI=1S/C12H13BrN2O/c13-11-9-10(3-1-8-16)4-5-12(11)15-7-2-6-14-15/h2,4-7,9,16H,1,3,8H2
InChIKeyJFZZSDRJHZDBII-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.56
Rot. Bonds4

About 3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol

3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol (PubChem CID 117451056) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol
PubChem CID117451056
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol
SMILESOCCCc1ccc(-n2cccn2)c(Br)c1
InChIInChI=1S/C12H13BrN2O/c13-11-9-10(3-1-8-16)4-5-12(11)15-7-2-6-14-15/h2,4-7,9,16H,1,3,8H2
InChIKeyJFZZSDRJHZDBII-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-pyrazol-1-ylphenyl)ethanol
CID 117420980
3-(3-bromo-4-pyrazol-1-ylphenyl)propanal
CID 117447367
3-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]propan-1-ol
CID 117498580
2-bromo-4-(3-hydroxypropyl)phenol
CID 101080758
3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol
CID 117416464
3-[3-(bromomethyl)phenyl]propan-1-ol
CID 139754880
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
CID 103924243
4-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 64516496
5-(2-pyrazol-1-ylanilino)pentan-1-ol
CID 111770347
(5-pyrazol-1-ylnaphthalen-2-yl)methanol
CID 171090659
1-[2-(bromomethyl)-4-methylphenyl]pyrazole
CID 106765702
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
CID 117400911

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol?
The IUPAC name of 3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol (CID 117451056) is 3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol is OCCCc1ccc(-n2cccn2)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol?
The InChIKey is JFZZSDRJHZDBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-11-9-10(3-1-8-16)4-5-12(11)15-7-2-6-14-15/h2,4-7,9,16H,1,3,8H2.
What are the key properties of 3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol?
3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol has a molecular weight of 281.15 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol is sourced from PubChem (CID 117451056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).