4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole

C14H14BrFN2O — CID 126567478

IUPAC4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole
SMILESCOc1ccc(F)c(-n2ncc(CBr)c2C2CC2)c1
InChIInChI=1S/C14H14BrFN2O/c1-19-11-4-5-12(16)13(6-11)18-14(9-2-3-9)10(7-15)8-17-18/h4-6,8-9H,2-3,7H2,1H3
InChIKeyBKAVZXRJUBIOHY-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.79
Rot. Bonds4

About 4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole

4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole (PubChem CID 126567478) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole
PubChem CID126567478
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole
SMILESCOc1ccc(F)c(-n2ncc(CBr)c2C2CC2)c1
InChIInChI=1S/C14H14BrFN2O/c1-19-11-4-5-12(16)13(6-11)18-14(9-2-3-9)10(7-15)8-17-18/h4-6,8-9H,2-3,7H2,1H3
InChIKeyBKAVZXRJUBIOHY-UHFFFAOYSA-N
XLogP3.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-4-[2-[3-(1-cyclopropylpropyl)phenyl]ethyl]-1-(2-fluoro-5-methoxyphenyl)pyrazole
CID 126586035
5-bromo-4-(chloromethyl)-1-(2-fluoro-5-methoxyphenyl)pyrazole
CID 126567418
4-(bromomethyl)-5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)pyrazole
CID 126567352
4-(chloromethyl)-5-cyclopropyl-1-(2,4,5-trifluorophenyl)pyrazole
CID 66437096
4-(chloromethyl)-5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole
CID 66439229
4-cyclopropyl-6-[[5-cyclopropyl-1-(2,5-difluorophenyl)pyrazol-4-yl]methyl]-2H-benzotriazole
CID 175710292
[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
CID 66438989
methyl 3-cyclopropyl-3-[3-[[5-cyclopropyl-1-(5-fluoro-2-methoxy-4-pyridinyl)pyrazol-4-yl]methoxy]phenyl]propanoate
CID 126581140
1-(2-fluoro-5-methoxyphenyl)piperidin-4-ol
CID 70198128
4-(bromomethyl)-5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole
CID 114799005
4-(bromomethyl)-5-ethyl-1-(4-methoxyphenyl)pyrazole
CID 66439466
(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 129411689

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole?
The IUPAC name of 4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole (CID 126567478) is 4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole?
The canonical SMILES for 4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole is COc1ccc(F)c(-n2ncc(CBr)c2C2CC2)c1.
What is the InChIKey of 4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole?
The InChIKey is BKAVZXRJUBIOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-19-11-4-5-12(16)13(6-11)18-14(9-2-3-9)10(7-15)8-17-18/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole?
4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole has a molecular weight of 325.18 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-cyclopropyl-1-(2-fluoro-5-methoxyphenyl)pyrazole is sourced from PubChem (CID 126567478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).