[4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol

C11H11BrN2O — CID 62122562

IUPAC[4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1-n1cc(Br)cn1
InChIInChI=1S/C11H11BrN2O/c1-8-4-9(7-15)2-3-11(8)14-6-10(12)5-13-14/h2-6,15H,7H2,1H3
InChIKeyVSMRDWGIQVBVES-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.44
Rot. Bonds2

About [4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol

[4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol (PubChem CID 62122562) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is [4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol
PubChem CID62122562
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name[4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1-n1cc(Br)cn1
InChIInChI=1S/C11H11BrN2O/c1-8-4-9(7-15)2-3-11(8)14-6-10(12)5-13-14/h2-6,15H,7H2,1H3
InChIKeyVSMRDWGIQVBVES-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol?
The IUPAC name of [4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol (CID 62122562) is [4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol.
What is the SMILES notation for [4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol?
The canonical SMILES for [4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol is Cc1cc(CO)ccc1-n1cc(Br)cn1.
What is the InChIKey of [4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol?
The InChIKey is VSMRDWGIQVBVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-8-4-9(7-15)2-3-11(8)14-6-10(12)5-13-14/h2-6,15H,7H2,1H3.
What are the key properties of [4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol?
[4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol has a molecular weight of 267.13 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromopyrazol-1-yl)-3-methylphenyl]methanol is sourced from PubChem (CID 62122562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).