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

C17H15BrN2O — CID 4995785

IUPAC[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1cccc(-n2cc(CO)c(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C17H15BrN2O/c1-12-3-2-4-16(9-12)20-10-14(11-21)17(19-20)13-5-7-15(18)8-6-13/h2-10,21H,11H2,1H3
InChIKeyUNUUXYYSQRAZOY-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.10
Rot. Bonds3

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

[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol (PubChem CID 4995785) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is [3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
PubChem CID4995785
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1cccc(-n2cc(CO)c(-c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C17H15BrN2O/c1-12-3-2-4-16(9-12)20-10-14(11-21)17(19-20)13-5-7-15(18)8-6-13/h2-10,21H,11H2,1H3
InChIKeyUNUUXYYSQRAZOY-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 28910823
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
2-[3-(3,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]-N,N-dimethylacetamide
CID 10872782
[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 7245329
3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83203402
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556
[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 165072337
[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
CID 84617796
[1-(3-chlorophenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
CID 5146729
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbenzamide
CID 18205415
2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
CID 25378437
3-(4-bromophenyl)-1-phenylpyrazol-4-ol
CID 99938057

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol (CID 4995785) is [3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol is Cc1cccc(-n2cc(CO)c(-c3ccc(Br)cc3)n2)c1.
What is the InChIKey of [3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
The InChIKey is UNUUXYYSQRAZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-12-3-2-4-16(9-12)20-10-14(11-21)17(19-20)13-5-7-15(18)8-6-13/h2-10,21H,11H2,1H3.
What are the key properties of [3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol?
[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol has a molecular weight of 343.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 4995785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).