4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole

C15H17BrN2O — CID 75382418

IUPAC4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole
SMILESCOc1ccc(C)cc1Cn1ncc(Br)c1C1CC1
InChIInChI=1S/C15H17BrN2O/c1-10-3-6-14(19-2)12(7-10)9-18-15(11-4-5-11)13(16)8-17-18/h3,6-8,11H,4-5,9H2,1-2H3
InChIKeyHFXHTUVVRQOGTA-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.89
Rot. Bonds4

About 4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole

4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole (PubChem CID 75382418) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole
PubChem CID75382418
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole
SMILESCOc1ccc(C)cc1Cn1ncc(Br)c1C1CC1
InChIInChI=1S/C15H17BrN2O/c1-10-3-6-14(19-2)12(7-10)9-18-15(11-4-5-11)13(16)8-17-18/h3,6-8,11H,4-5,9H2,1-2H3
InChIKeyHFXHTUVVRQOGTA-UHFFFAOYSA-N
XLogP3.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole?
The IUPAC name of 4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole (CID 75382418) is 4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole?
The canonical SMILES for 4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole is COc1ccc(C)cc1Cn1ncc(Br)c1C1CC1.
What is the InChIKey of 4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole?
The InChIKey is HFXHTUVVRQOGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-3-6-14(19-2)12(7-10)9-18-15(11-4-5-11)13(16)8-17-18/h3,6-8,11H,4-5,9H2,1-2H3.
What are the key properties of 4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole?
4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole has a molecular weight of 321.22 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 75382418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).