4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole

C15H13BrN2 — CID 15808935

IUPAC4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole
SMILESBrC1C(c2ccccc2)=NNC1c1ccccc1
InChIInChI=1S/C15H13BrN2/c16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12/h1-10,13-14,17H
InChIKeyYWWMFNMRTBIIKW-UHFFFAOYSA-N
MW301.19 g/mol
LogP3.50
Rot. Bonds2

About 4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole

4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole (PubChem CID 15808935) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole
PubChem CID15808935
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole
SMILESBrC1C(c2ccccc2)=NNC1c1ccccc1
InChIInChI=1S/C15H13BrN2/c16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12/h1-10,13-14,17H
InChIKeyYWWMFNMRTBIIKW-UHFFFAOYSA-N
XLogP3.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline
CID 141434831
3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole
CID 142218711
3-methylsulfanyl-5,6-diphenyl-1,6-dihydro-1,2,4-triazine
CID 71338907
(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
CID 40650711
4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)benzoic acid
CID 123887335
(5R)-2,5-diphenyl-4,5-dihydro-1,3,4-oxadiazin-6-one
CID 13063059
6-fluoro-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole
CID 68593869
4-bromo-5-phenylpyrazolidine-3-carboxylic acid
CID 75117975
(3R,4S)-4-phenylazetidine-2,3-diol
CID 143371351
(4R,5S)-5-(4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CID 6976785
[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]hydrazine
CID 1276082
3,6-diphenyl-1,2,3,3a,4,5,6,6a-octahydropyrazolo[4,3-c]pyrazole
CID 45036955

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole (CID 15808935) is 4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole is BrC1C(c2ccccc2)=NNC1c1ccccc1.
What is the InChIKey of 4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is YWWMFNMRTBIIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12/h1-10,13-14,17H.
What are the key properties of 4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole?
4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 301.19 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 15808935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).