3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine

C15H26BrN3 — CID 83159864

IUPAC3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1c(Br)c(C)nn1C)C1CC1
InChIInChI=1S/C15H26BrN3/c1-5-8-17-10-15(3,12-6-7-12)9-13-14(16)11(2)18-19(13)4/h12,17H,5-10H2,1-4H3
InChIKeyAWVJCVJGHGOTIG-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.45
Rot. Bonds7

About 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine

3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine (PubChem CID 83159864) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine
PubChem CID83159864
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1c(Br)c(C)nn1C)C1CC1
InChIInChI=1S/C15H26BrN3/c1-5-8-17-10-15(3,12-6-7-12)9-13-14(16)11(2)18-19(13)4/h12,17H,5-10H2,1-4H3
InChIKeyAWVJCVJGHGOTIG-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-5-[(4-fluoropiperidin-4-yl)methyl]-1-propylpyrazole-3-carbonitrile
CID 67158131
4-Bromo-5-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrazole-3-carbonitrile
CID 67158192
4-Bromo-3,5-dicyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 117600959
4-Bromo-1-methyl-3-octan-2-yl-5-(trifluoromethyl)pyrazole
CID 146201015
4-Bromo-5-fluoro-1-methyl-3-(6-methyldodecan-6-yl)pyrazole
CID 146377908
4-{[(1r,3r)-3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropyl]methyl}-1-ethyl-3,5-dimethyl-1h-pyrazole
CID 170458521
3-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 19618223
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 65855627
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 65855829
1-[(4-Bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65868248
1-[(4-Bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 65868441
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 65887236

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine (CID 83159864) is 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine is CCCNCC(C)(Cc1c(Br)c(C)nn1C)C1CC1.
What is the InChIKey of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine?
The InChIKey is AWVJCVJGHGOTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-5-8-17-10-15(3,12-6-7-12)9-13-14(16)11(2)18-19(13)4/h12,17H,5-10H2,1-4H3.
What are the key properties of 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine?
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine has a molecular weight of 328.30 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 83159864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).