4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole

C15H17BrN2 — CID 66438813

IUPAC4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2ncc(CBr)c2C2CC2)cc1
InChIInChI=1S/C15H17BrN2/c1-11-2-4-12(5-3-11)10-18-15(13-6-7-13)14(8-16)9-17-18/h2-5,9,13H,6-8,10H2,1H3
InChIKeyONMZHHYXTYVSNR-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.01
Rot. Bonds4

About 4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole

4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole (PubChem CID 66438813) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
PubChem CID66438813
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2ncc(CBr)c2C2CC2)cc1
InChIInChI=1S/C15H17BrN2/c1-11-2-4-12(5-3-11)10-18-15(13-6-7-13)14(8-16)9-17-18/h2-5,9,13H,6-8,10H2,1H3
InChIKeyONMZHHYXTYVSNR-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole?
The IUPAC name of 4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole (CID 66438813) is 4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole?
The canonical SMILES for 4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole is Cc1ccc(Cn2ncc(CBr)c2C2CC2)cc1.
What is the InChIKey of 4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole?
The InChIKey is ONMZHHYXTYVSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-2-4-12(5-3-11)10-18-15(13-6-7-13)14(8-16)9-17-18/h2-5,9,13H,6-8,10H2,1H3.
What are the key properties of 4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole?
4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole has a molecular weight of 305.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 66438813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).