(3-bromo-5-methyl-1H-pyrazol-4-yl)methanol

C5H7BrN2O — CID 84662967

IUPAC(3-bromo-5-methyl-1H-pyrazol-4-yl)methanol
SMILESCc1[nH]nc(Br)c1CO
InChIInChI=1S/C5H7BrN2O/c1-3-4(2-9)5(6)8-7-3/h9H,2H2,1H3,(H,7,8)
InChIKeyNVDKVXWECKCCEX-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.97
Rot. Bonds1

About (3-bromo-5-methyl-1H-pyrazol-4-yl)methanol

(3-bromo-5-methyl-1H-pyrazol-4-yl)methanol (PubChem CID 84662967) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is (3-bromo-5-methyl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methyl-1H-pyrazol-4-yl)methanol
PubChem CID84662967
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name(3-bromo-5-methyl-1H-pyrazol-4-yl)methanol
SMILESCc1[nH]nc(Br)c1CO
InChIInChI=1S/C5H7BrN2O/c1-3-4(2-9)5(6)8-7-3/h9H,2H2,1H3,(H,7,8)
InChIKeyNVDKVXWECKCCEX-UHFFFAOYSA-N
XLogP0.97
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methyl-1H-pyrazol-4-yl)methanol?
The IUPAC name of (3-bromo-5-methyl-1H-pyrazol-4-yl)methanol (CID 84662967) is (3-bromo-5-methyl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-5-methyl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for (3-bromo-5-methyl-1H-pyrazol-4-yl)methanol is Cc1[nH]nc(Br)c1CO.
What is the InChIKey of (3-bromo-5-methyl-1H-pyrazol-4-yl)methanol?
The InChIKey is NVDKVXWECKCCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-3-4(2-9)5(6)8-7-3/h9H,2H2,1H3,(H,7,8).
What are the key properties of (3-bromo-5-methyl-1H-pyrazol-4-yl)methanol?
(3-bromo-5-methyl-1H-pyrazol-4-yl)methanol has a molecular weight of 191.03 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methyl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 84662967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).