4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole

C14H15BrN2 — CID 61096953

IUPAC4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
SMILESBrC(c1cnn(-c2ccccc2)c1)C1CCC1
InChIInChI=1S/C14H15BrN2/c15-14(11-5-4-6-11)12-9-16-17(10-12)13-7-2-1-3-8-13/h1-3,7-11,14H,4-6H2
InChIKeySBDGVSPYGIQTCU-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.11
Rot. Bonds3

About 4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole

4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole (PubChem CID 61096953) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
PubChem CID61096953
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
SMILESBrC(c1cnn(-c2ccccc2)c1)C1CCC1
InChIInChI=1S/C14H15BrN2/c15-14(11-5-4-6-11)12-9-16-17(10-12)13-7-2-1-3-8-13/h1-3,7-11,14H,4-6H2
InChIKeySBDGVSPYGIQTCU-UHFFFAOYSA-N
XLogP4.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953
4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole
CID 66477141
[cyclohexyl-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105282022
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468
4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
CID 63433194
2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 114457498
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
4-[bromo-(2,4,5-trimethyloxolan-3-yl)methyl]-1-phenylpyrazole
CID 65157974
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 107177279

Frequently Asked Questions

What is the IUPAC name of 4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole?
The IUPAC name of 4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole (CID 61096953) is 4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole.
What is the SMILES notation for 4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole?
The canonical SMILES for 4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole is BrC(c1cnn(-c2ccccc2)c1)C1CCC1.
What is the InChIKey of 4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole?
The InChIKey is SBDGVSPYGIQTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-14(11-5-4-6-11)12-9-16-17(10-12)13-7-2-1-3-8-13/h1-3,7-11,14H,4-6H2.
What are the key properties of 4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole?
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole has a molecular weight of 291.19 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole is sourced from PubChem (CID 61096953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).