(3-bromo-1-methylpyrazol-4-yl)methanol

C5H7BrN2O — CID 84719611

IUPAC(3-bromo-1-methylpyrazol-4-yl)methanol
SMILESCn1cc(CO)c(Br)n1
InChIInChI=1S/C5H7BrN2O/c1-8-2-4(3-9)5(6)7-8/h2,9H,3H2,1H3
InChIKeyOUSSWGFQUVLOAV-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.67
Rot. Bonds1

About (3-bromo-1-methylpyrazol-4-yl)methanol

(3-bromo-1-methylpyrazol-4-yl)methanol (PubChem CID 84719611) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)methanol
PubChem CID84719611
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)methanol
SMILESCn1cc(CO)c(Br)n1
InChIInChI=1S/C5H7BrN2O/c1-8-2-4(3-9)5(6)7-8/h2,9H,3H2,1H3
InChIKeyOUSSWGFQUVLOAV-UHFFFAOYSA-N
XLogP0.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)methanol (CID 84719611) is (3-bromo-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)methanol is Cn1cc(CO)c(Br)n1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)methanol?
The InChIKey is OUSSWGFQUVLOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-8-2-4(3-9)5(6)7-8/h2,9H,3H2,1H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)methanol?
(3-bromo-1-methylpyrazol-4-yl)methanol has a molecular weight of 191.03 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 84719611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).