1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine

C15H24BrN3 — CID 80690073

IUPAC1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccn(C2CCCC2)n1)CC1CC(Br)C1
InChIInChI=1S/C15H24BrN3/c1-18(10-12-8-13(16)9-12)11-14-6-7-19(17-14)15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3
InChIKeyCMKZNATUNRWZQA-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine

1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine (PubChem CID 80690073) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine
PubChem CID80690073
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccn(C2CCCC2)n1)CC1CC(Br)C1
InChIInChI=1S/C15H24BrN3/c1-18(10-12-8-13(16)9-12)11-14-6-7-19(17-14)15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3
InChIKeyCMKZNATUNRWZQA-UHFFFAOYSA-N
XLogP3.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
CID 64785385
5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine
CID 107204922
4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol
CID 113259203
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 64784047
1-cyclohexyl-3-ethylpyrazole
CID 66014335
N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine
CID 80673348
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632392
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 64800221
potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide
CID 64779762
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614482

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine (CID 80690073) is 1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine is CN(Cc1ccn(C2CCCC2)n1)CC1CC(Br)C1.
What is the InChIKey of 1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine?
The InChIKey is CMKZNATUNRWZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-18(10-12-8-13(16)9-12)11-14-6-7-19(17-14)15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3.
What are the key properties of 1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine?
1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine has a molecular weight of 326.28 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 80690073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).