3-(4-bromophenyl)-1-phenylpyrazol-4-ol

C15H11BrN2O — CID 99938057

IUPAC3-(4-bromophenyl)-1-phenylpyrazol-4-ol
SMILESOc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-8-6-11(7-9-12)15-14(19)10-18(17-15)13-4-2-1-3-5-13/h1-10,19H
InChIKeyMOKDTOWNIUAFBN-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.01
Rot. Bonds2

About 3-(4-bromophenyl)-1-phenylpyrazol-4-ol

3-(4-bromophenyl)-1-phenylpyrazol-4-ol (PubChem CID 99938057) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-phenylpyrazol-4-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-phenylpyrazol-4-ol
PubChem CID99938057
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-(4-bromophenyl)-1-phenylpyrazol-4-ol
SMILESOc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-8-6-11(7-9-12)15-14(19)10-18(17-15)13-4-2-1-3-5-13/h1-10,19H
InChIKeyMOKDTOWNIUAFBN-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-phenylpyrazol-4-ol
CID 99938046
(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5399521
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 178135055
[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate
CID 2322038
methyl (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 1340560
2-(4-bromophenyl)-5-[3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-phenylpyrazol-4-yl]-1,3,4-oxadiazole
CID 102300786
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-ol
CID 99938045
3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide
CID 1068304
1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-N-(4-methylphenyl)methanimine
CID 138374021
bis[3-(5-bromo-2-hydroxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 136656546
4-(4-bromo-1-phenylpyrazol-3-yl)pyridine
CID 67295632

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-phenylpyrazol-4-ol?
The IUPAC name of 3-(4-bromophenyl)-1-phenylpyrazol-4-ol (CID 99938057) is 3-(4-bromophenyl)-1-phenylpyrazol-4-ol.
What is the SMILES notation for 3-(4-bromophenyl)-1-phenylpyrazol-4-ol?
The canonical SMILES for 3-(4-bromophenyl)-1-phenylpyrazol-4-ol is Oc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-phenylpyrazol-4-ol?
The InChIKey is MOKDTOWNIUAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-8-6-11(7-9-12)15-14(19)10-18(17-15)13-4-2-1-3-5-13/h1-10,19H.
What are the key properties of 3-(4-bromophenyl)-1-phenylpyrazol-4-ol?
3-(4-bromophenyl)-1-phenylpyrazol-4-ol has a molecular weight of 315.17 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-phenylpyrazol-4-ol is sourced from PubChem (CID 99938057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).