4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole

C14H16Br2N2 — CID 66437746

IUPAC4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole
SMILESCC(C)c1c(CBr)cnn1Cc1cccc(Br)c1
InChIInChI=1S/C14H16Br2N2/c1-10(2)14-12(7-15)8-17-18(14)9-11-4-3-5-13(16)6-11/h3-6,8,10H,7,9H2,1-2H3
InChIKeyCPJQZTCUTOJDKT-UHFFFAOYSA-N
MW372.10 g/mol
LogP4.71
Rot. Bonds4

About 4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole

4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole (PubChem CID 66437746) has the molecular formula C14H16Br2N2 and a molecular weight of 372.10 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole
PubChem CID66437746
Molecular FormulaC14H16Br2N2
Molecular Weight372.10 g/mol
Exact Mass369.97
IUPAC Name4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole
SMILESCC(C)c1c(CBr)cnn1Cc1cccc(Br)c1
InChIInChI=1S/C14H16Br2N2/c1-10(2)14-12(7-15)8-17-18(14)9-11-4-3-5-13(16)6-11/h3-6,8,10H,7,9H2,1-2H3
InChIKeyCPJQZTCUTOJDKT-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.10
LogP ≤ 54.71
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

1-[(3-bromophenyl)methyl]-4-(chloromethyl)-5-(difluoromethyl)pyrazole
CID 66437526
4-(bromomethyl)-1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole
CID 66438814
[1-[(3-bromophenyl)methyl]-5-(difluoromethyl)pyrazol-4-yl]methanamine
CID 66441405
4-(bromomethyl)-1-(3-bromophenyl)-5-propan-2-ylpyrazole
CID 66437281
1-[(3-bromophenyl)methyl]-5-propan-2-yltriazol-4-amine
CID 79543050
[1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66442606
[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
CID 115068526
2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 103221567
N-[(1-benzyl-5-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 66439681
N-[[1-[(4-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66439994
1-[(2-bromophenyl)methyl]-4-(chloromethyl)-5-propan-2-ylpyrazole
CID 66438185
2-[(3-bromophenyl)methyl]-5-iodopyridazin-3-one
CID 114553473

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole?
The IUPAC name of 4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole (CID 66437746) is 4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole.
What is the SMILES notation for 4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole?
The canonical SMILES for 4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole is CC(C)c1c(CBr)cnn1Cc1cccc(Br)c1.
What is the InChIKey of 4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole?
The InChIKey is CPJQZTCUTOJDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2/c1-10(2)14-12(7-15)8-17-18(14)9-11-4-3-5-13(16)6-11/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of 4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole?
4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole has a molecular weight of 372.10 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(3-bromophenyl)methyl]-5-propan-2-ylpyrazole is sourced from PubChem (CID 66437746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).