3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine

C15H26BrN3 — CID 112569735

IUPAC3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine
SMILESCCc1nn(C)c(CC(CNC)C2CCCC2)c1Br
InChIInChI=1S/C15H26BrN3/c1-4-13-15(16)14(19(3)18-13)9-12(10-17-2)11-7-5-6-8-11/h11-12,17H,4-10H2,1-3H3
InChIKeySAAXUDSVNPFFIH-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.31
Rot. Bonds6

About 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine

3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine (PubChem CID 112569735) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine
PubChem CID112569735
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine
SMILESCCc1nn(C)c(CC(CNC)C2CCCC2)c1Br
InChIInChI=1S/C15H26BrN3/c1-4-13-15(16)14(19(3)18-13)9-12(10-17-2)11-7-5-6-8-11/h11-12,17H,4-10H2,1-3H3
InChIKeySAAXUDSVNPFFIH-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231495
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 112569707
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 104994465
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229427
N-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107189387
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 105157506
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106830227
4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
CID 66048082
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81019761

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine?
The IUPAC name of 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine (CID 112569735) is 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine is CCc1nn(C)c(CC(CNC)C2CCCC2)c1Br.
What is the InChIKey of 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine?
The InChIKey is SAAXUDSVNPFFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-4-13-15(16)14(19(3)18-13)9-12(10-17-2)11-7-5-6-8-11/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine?
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine has a molecular weight of 328.30 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine is sourced from PubChem (CID 112569735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).