1-[4-(bromomethyl)phenyl]-4-phenylpyrazole

C16H13BrN2 — CID 107086143

IUPAC1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
SMILESBrCc1ccc(-n2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C16H13BrN2/c17-10-13-6-8-16(9-7-13)19-12-15(11-18-19)14-4-2-1-3-5-14/h1-9,11-12H,10H2
InChIKeyCYADKVFZZHNFJD-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.43
Rot. Bonds3

About 1-[4-(bromomethyl)phenyl]-4-phenylpyrazole

1-[4-(bromomethyl)phenyl]-4-phenylpyrazole (PubChem CID 107086143) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-[4-(bromomethyl)phenyl]-4-phenylpyrazole.

Molecular Properties

Compound Name1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
PubChem CID107086143
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
SMILESBrCc1ccc(-n2cc(-c3ccccc3)cn2)cc1
InChIInChI=1S/C16H13BrN2/c17-10-13-6-8-16(9-7-13)19-12-15(11-18-19)14-4-2-1-3-5-14/h1-9,11-12H,10H2
InChIKeyCYADKVFZZHNFJD-UHFFFAOYSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[4-(bromomethyl)phenyl]-4-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(bromomethyl)-2-fluorophenyl]-4-phenylpyrazole
CID 107086139
2-[4-(1-phenylpyrazol-4-yl)phenyl]ethanamine
CID 82039913
[4-(4-phenylpyrazol-1-yl)phenyl]borinic acid
CID 143877743
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
(1S)-1-[4-(4-phenylpyrazol-1-yl)phenyl]ethanamine
CID 63370517
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
4-[4-(1-phenylpyrazol-4-yl)phenyl]butan-2-amine
CID 82541519
1,1'-biphenyl;bromomethylbenzene
CID 18398670
4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]phenyl]pyrazole
CID 170539361
1-[2-(bromomethyl)-4-fluorophenyl]-4-phenylpyrazole
CID 107086140
5-(4-phenylpyrazol-1-yl)pyridine-2-carbonitrile
CID 115487818
1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
CID 47012731

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)phenyl]-4-phenylpyrazole?
The IUPAC name of 1-[4-(bromomethyl)phenyl]-4-phenylpyrazole (CID 107086143) is 1-[4-(bromomethyl)phenyl]-4-phenylpyrazole.
What is the SMILES notation for 1-[4-(bromomethyl)phenyl]-4-phenylpyrazole?
The canonical SMILES for 1-[4-(bromomethyl)phenyl]-4-phenylpyrazole is BrCc1ccc(-n2cc(-c3ccccc3)cn2)cc1.
What is the InChIKey of 1-[4-(bromomethyl)phenyl]-4-phenylpyrazole?
The InChIKey is CYADKVFZZHNFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c17-10-13-6-8-16(9-7-13)19-12-15(11-18-19)14-4-2-1-3-5-14/h1-9,11-12H,10H2.
What are the key properties of 1-[4-(bromomethyl)phenyl]-4-phenylpyrazole?
1-[4-(bromomethyl)phenyl]-4-phenylpyrazole has a molecular weight of 313.20 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)phenyl]-4-phenylpyrazole is sourced from PubChem (CID 107086143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).