4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole

C15H19BrN2 — CID 66438814

IUPAC4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole
SMILESCc1ccc(Cn2ncc(CBr)c2C(C)C)cc1
InChIInChI=1S/C15H19BrN2/c1-11(2)15-14(8-16)9-17-18(15)10-13-6-4-12(3)5-7-13/h4-7,9,11H,8,10H2,1-3H3
InChIKeyKGOYDXXSYOBZDG-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.26
Rot. Bonds4

About 4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole

4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole (PubChem CID 66438814) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole
PubChem CID66438814
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole
SMILESCc1ccc(Cn2ncc(CBr)c2C(C)C)cc1
InChIInChI=1S/C15H19BrN2/c1-11(2)15-14(8-16)9-17-18(15)10-13-6-4-12(3)5-7-13/h4-7,9,11H,8,10H2,1-3H3
InChIKeyKGOYDXXSYOBZDG-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.26
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

4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole
CID 66437746
[1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66442606
4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66438813
4-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-(difluoromethyl)pyrazole
CID 66436874
1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66442394
N-[[1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66439994
N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 66439681
N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
CID 66439775
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 54982266
1-[(2-bromophenyl)methyl]-4-(chloromethyl)-5-propan-2-ylpyrazole
CID 66438185
1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-amine
CID 66439624
1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazole-4-carboxylic acid
CID 55171648

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole?
The IUPAC name of 4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole (CID 66438814) is 4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole.
What is the SMILES notation for 4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole?
The canonical SMILES for 4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole is Cc1ccc(Cn2ncc(CBr)c2C(C)C)cc1.
What is the InChIKey of 4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole?
The InChIKey is KGOYDXXSYOBZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-11(2)15-14(8-16)9-17-18(15)10-13-6-4-12(3)5-7-13/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of 4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole?
4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole has a molecular weight of 307.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole is sourced from PubChem (CID 66438814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).