4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole

C13H13BrN2 — CID 81350650

IUPAC4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole
SMILESBrCC1CC1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H13BrN2/c14-7-10-6-13(10)11-8-15-16(9-11)12-4-2-1-3-5-12/h1-5,8-10,13H,6-7H2
InChIKeyCHUVZJURIISCLB-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.37
Rot. Bonds3

About 4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole

4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole (PubChem CID 81350650) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole
PubChem CID81350650
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC Name4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole
SMILESBrCC1CC1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H13BrN2/c14-7-10-6-13(10)11-8-15-16(9-11)12-4-2-1-3-5-12/h1-5,8-10,13H,6-7H2
InChIKeyCHUVZJURIISCLB-UHFFFAOYSA-N
XLogP3.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 170910890
N-[[2-(1-phenylpyrazol-4-yl)cyclopropyl]methyl]propan-2-amine
CID 62708561
(5S)-3-bromo-5-(1-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole
CID 58126784
4-(4-methylpyrrolidin-2-yl)-1-phenylpyrazole
CID 64687894
2-(cyclobutylmethyl)-1-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]guanidine
CID 120663100
1-methyl-N-[(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095776
(1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-yl)-[(1R,2R)-2-(1-phenylpyrazol-4-yl)cyclopropyl]methanone
CID 154855029
2-ethyl-2-methyl-3-(1-phenylpyrazol-4-yl)cyclobutan-1-one
CID 81414983
1-phenyl-N-[(1R,2R)-2-phenylcyclopropyl]pyrazole-4-sulfonamide
CID 95259394
1-methyl-5-(1-phenylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79510472
1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
CID 107086143
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole?
The IUPAC name of 4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole (CID 81350650) is 4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole?
The canonical SMILES for 4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole is BrCC1CC1c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole?
The InChIKey is CHUVZJURIISCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c14-7-10-6-13(10)11-8-15-16(9-11)12-4-2-1-3-5-12/h1-5,8-10,13H,6-7H2.
What are the key properties of 4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole?
4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole has a molecular weight of 277.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole is sourced from PubChem (CID 81350650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).