4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole

C10H15BrN2 — CID 64508030

IUPAC4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole
SMILESCn1cc(CC2CCC(Br)C2)cn1
InChIInChI=1S/C10H15BrN2/c1-13-7-9(6-12-13)4-8-2-3-10(11)5-8/h6-8,10H,2-5H2,1H3
InChIKeyIOCXQGNXUJWEEO-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.53
Rot. Bonds2

About 4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole

4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole (PubChem CID 64508030) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole
PubChem CID64508030
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole
SMILESCn1cc(CC2CCC(Br)C2)cn1
InChIInChI=1S/C10H15BrN2/c1-13-7-9(6-12-13)4-8-2-3-10(11)5-8/h6-8,10H,2-5H2,1H3
InChIKeyIOCXQGNXUJWEEO-UHFFFAOYSA-N
XLogP2.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.53
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

2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778140
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 103015270
4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole
CID 64910348
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 62128172
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
4-(4-bromooxan-2-yl)-1-methylpyrazole
CID 157045046
4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole
CID 55040438
4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62125698
ethane;4-ethyl-1-methylpyrazole
CID 143829284

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole?
The IUPAC name of 4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole (CID 64508030) is 4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole?
The canonical SMILES for 4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole is Cn1cc(CC2CCC(Br)C2)cn1.
What is the InChIKey of 4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole?
The InChIKey is IOCXQGNXUJWEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13-7-9(6-12-13)4-8-2-3-10(11)5-8/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole?
4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole has a molecular weight of 243.15 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromocyclopentyl)methyl]-1-methylpyrazole is sourced from PubChem (CID 64508030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).