3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole

C16H25BrN2 — CID 64778454

IUPAC3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
SMILESBrC1CCCCCC1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H25BrN2/c17-16-9-3-1-2-6-13(16)12-14-10-11-19(18-14)15-7-4-5-8-15/h10-11,13,15-16H,1-9,12H2
InChIKeyNTBWSRQQSJHEEL-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.88
Rot. Bonds3

About 3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole

3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole (PubChem CID 64778454) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole.

Molecular Properties

Compound Name3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
PubChem CID64778454
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
SMILESBrC1CCCCCC1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H25BrN2/c17-16-9-3-1-2-6-13(16)12-14-10-11-19(18-14)15-7-4-5-8-15/h10-11,13,15-16H,1-9,12H2
InChIKeyNTBWSRQQSJHEEL-UHFFFAOYSA-N
XLogP4.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole 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

3-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-1-cyclopentylpyrazole
CID 64777285
4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190390
4-[(1-cyclohexylpyrazol-3-yl)methyl]thiolan-3-amine
CID 83195968
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[(2-chloro-5-methylcyclohexyl)methyl]-1-cyclohexylpyrazole
CID 64778257
[2-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81011678
4-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylthiolan-3-amine
CID 83196608
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 83261545
2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one
CID 64785748
N-[[2-[(1-cyclopentylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017300
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole?
The IUPAC name of 3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole (CID 64778454) is 3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole.
What is the SMILES notation for 3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole?
The canonical SMILES for 3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole is BrC1CCCCCC1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole?
The InChIKey is NTBWSRQQSJHEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c17-16-9-3-1-2-6-13(16)12-14-10-11-19(18-14)15-7-4-5-8-15/h10-11,13,15-16H,1-9,12H2.
What are the key properties of 3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole?
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole has a molecular weight of 325.29 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole is sourced from PubChem (CID 64778454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).