[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol

C11H11BrN2O — CID 165072337

IUPAC[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-n2cc(CO)c(Br)n2)cc1
InChIInChI=1S/C11H11BrN2O/c1-8-2-4-10(5-3-8)14-6-9(7-15)11(12)13-14/h2-6,15H,7H2,1H3
InChIKeyNTLVQSOZGCIYKC-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.44
Rot. Bonds2

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

[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol (PubChem CID 165072337) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is [3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol
PubChem CID165072337
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-n2cc(CO)c(Br)n2)cc1
InChIInChI=1S/C11H11BrN2O/c1-8-2-4-10(5-3-8)14-6-9(7-15)11(12)13-14/h2-6,15H,7H2,1H3
InChIKeyNTLVQSOZGCIYKC-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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Related Compounds

[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 138506131
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 4995785
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
1-[4-[4-(bromomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone
CID 84617721
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone
CID 150278634
4-bromo-1-(4-methylphenyl)imidazole
CID 66520738
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910918
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
3-(5-bromofuran-2-yl)-1-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 104653663
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727

Frequently Asked Questions

What is the IUPAC name of [3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol (CID 165072337) is [3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol is Cc1ccc(-n2cc(CO)c(Br)n2)cc1.
What is the InChIKey of [3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol?
The InChIKey is NTLVQSOZGCIYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-8-2-4-10(5-3-8)14-6-9(7-15)11(12)13-14/h2-6,15H,7H2,1H3.
What are the key properties of [3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol?
[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]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 [3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 165072337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).