(4-bromopyrazol-1-yl)methanol

C4H5BrN2O — CID 19614660

IUPAC(4-bromopyrazol-1-yl)methanol
SMILESOCn1cc(Br)cn1
InChIInChI=1S/C4H5BrN2O/c5-4-1-6-7(2-4)3-8/h1-2,8H,3H2
InChIKeyAAGVUZFWBQUDSJ-UHFFFAOYSA-N
MW177.00 g/mol
LogP0.60
Rot. Bonds1

About (4-bromopyrazol-1-yl)methanol

(4-bromopyrazol-1-yl)methanol (PubChem CID 19614660) has the molecular formula C4H5BrN2O and a molecular weight of 177.00 g/mol. Its IUPAC name is (4-bromopyrazol-1-yl)methanol.

Molecular Properties

Compound Name(4-bromopyrazol-1-yl)methanol
PubChem CID19614660
Molecular FormulaC4H5BrN2O
Molecular Weight177.00 g/mol
Exact Mass175.96
IUPAC Name(4-bromopyrazol-1-yl)methanol
SMILESOCn1cc(Br)cn1
InChIInChI=1S/C4H5BrN2O/c5-4-1-6-7(2-4)3-8/h1-2,8H,3H2
InChIKeyAAGVUZFWBQUDSJ-UHFFFAOYSA-N
XLogP0.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.00
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromo-1H-pyrazol-1-yl)ethanol
CID 16640642
4-Bromo-1-(2-methoxyethyl)-1H-pyrazole
CID 23247855
1H-Pyrazole, 4-bromo-1-methyl-
CID 167433
Pyrazol-1-yl-methanol
CID 242224
1-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 61035424
1-(ethoxyethyl)-4-bromo-1H-pyrazole
CID 4640410
4-Bromo-1-ethyl-1H-pyrazole
CID 12565201
4-Bromo-1-vinyl-1H-pyrazole
CID 13498184
4-Bromo-1-propyl-1H-pyrazole
CID 21859707
4-bromo-1-(3-methoxypropyl)-1H-pyrazole
CID 50989302
3,4-Dibromo-1-methyl-1H-pyrazole
CID 13185126
[2-(4-Bromopyrazol-1-yl)ethyl]dimethylamine
CID 21859709

Frequently Asked Questions

What is the IUPAC name of (4-bromopyrazol-1-yl)methanol?
The IUPAC name of (4-bromopyrazol-1-yl)methanol (CID 19614660) is (4-bromopyrazol-1-yl)methanol.
What is the SMILES notation for (4-bromopyrazol-1-yl)methanol?
The canonical SMILES for (4-bromopyrazol-1-yl)methanol is OCn1cc(Br)cn1.
What is the InChIKey of (4-bromopyrazol-1-yl)methanol?
The InChIKey is AAGVUZFWBQUDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2O/c5-4-1-6-7(2-4)3-8/h1-2,8H,3H2.
What are the key properties of (4-bromopyrazol-1-yl)methanol?
(4-bromopyrazol-1-yl)methanol has a molecular weight of 177.00 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopyrazol-1-yl)methanol is sourced from PubChem (CID 19614660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).