3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine

C11H18BrN3 — CID 115050624

IUPAC3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine
SMILESNCCCc1cnn(C2CCCC2)c1Br
InChIInChI=1S/C11H18BrN3/c12-11-9(4-3-7-13)8-14-15(11)10-5-1-2-6-10/h8,10H,1-7,13H2
InChIKeyGRLWGFMZVUWLRV-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.65
Rot. Bonds4

About 3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine

3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine (PubChem CID 115050624) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine
PubChem CID115050624
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine
SMILESNCCCc1cnn(C2CCCC2)c1Br
InChIInChI=1S/C11H18BrN3/c12-11-9(4-3-7-13)8-14-15(11)10-5-1-2-6-10/h8,10H,1-7,13H2
InChIKeyGRLWGFMZVUWLRV-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclohexyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115069001
3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115068985
3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 115021879
3-(1-cyclopropyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115068977
4,5-dibromo-1-cyclopentylpyrazole
CID 115053117
2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine
CID 115027444
5-bromo-1-cyclobutylpyrazol-4-ol
CID 117233141
2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine
CID 115017021
4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole
CID 66438384
3-(3-cyclohexylimidazol-4-yl)propan-1-amine
CID 83883482
3-(1-cycloheptyltetrazol-5-yl)propan-1-amine
CID 82228405
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
CID 79225212

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine (CID 115050624) is 3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine is NCCCc1cnn(C2CCCC2)c1Br.
What is the InChIKey of 3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine?
The InChIKey is GRLWGFMZVUWLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c12-11-9(4-3-7-13)8-14-15(11)10-5-1-2-6-10/h8,10H,1-7,13H2.
What are the key properties of 3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine?
3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 115050624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).