3-(4-bromopyrazol-1-yl)propan-1-amine

C6H10BrN3 — CID 7019326

IUPAC3-(4-bromopyrazol-1-yl)propan-1-amine
SMILESNCCCn1cc(Br)cn1
InChIInChI=1S/C6H10BrN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1-3,8H2
InChIKeyUMQTYNMMQRQZLZ-UHFFFAOYSA-N
MW204.07 g/mol
LogP0.99
Rot. Bonds3

About 3-(4-bromopyrazol-1-yl)propan-1-amine

3-(4-bromopyrazol-1-yl)propan-1-amine (PubChem CID 7019326) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)propan-1-amine
PubChem CID7019326
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name3-(4-bromopyrazol-1-yl)propan-1-amine
SMILESNCCCn1cc(Br)cn1
InChIInChI=1S/C6H10BrN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1-3,8H2
InChIKeyUMQTYNMMQRQZLZ-UHFFFAOYSA-N
XLogP0.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(4-bromopyrazol-1-yl)propan-1-amine (CID 7019326) is 3-(4-bromopyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)propan-1-amine is NCCCn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)propan-1-amine?
The InChIKey is UMQTYNMMQRQZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1-3,8H2.
What are the key properties of 3-(4-bromopyrazol-1-yl)propan-1-amine?
3-(4-bromopyrazol-1-yl)propan-1-amine has a molecular weight of 204.07 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 7019326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).