3-(4-bromopyrazol-1-yl)propylazanium

C6H11BrN3+ — CID 7019325

IUPAC3-(4-bromopyrazol-1-yl)propylazanium
SMILES[NH3+]CCCn1cc(Br)cn1
InChIInChI=1S/C6H10BrN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1-3,8H2/p+1
InChIKeyUMQTYNMMQRQZLZ-UHFFFAOYSA-O
MW205.08 g/mol
LogP0.28
Rot. Bonds3

About 3-(4-bromopyrazol-1-yl)propylazanium

3-(4-bromopyrazol-1-yl)propylazanium (PubChem CID 7019325) has the molecular formula C6H11BrN3+ and a molecular weight of 205.08 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)propylazanium.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)propylazanium
PubChem CID7019325
Molecular FormulaC6H11BrN3+
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name3-(4-bromopyrazol-1-yl)propylazanium
SMILES[NH3+]CCCn1cc(Br)cn1
InChIInChI=1S/C6H10BrN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1-3,8H2/p+1
InChIKeyUMQTYNMMQRQZLZ-UHFFFAOYSA-O
XLogP0.28
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-(3-chloropropyl)pyrazole
CID 61036423
4-bromo-1-(9-bromononyl)pyrazole
CID 90431241
4-bromo-1-(4,4,4-trifluorobutyl)pyrazole
CID 115517822
4-(4-bromopyrazol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62441912
2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
CID 19297618
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
6-(4-bromopyrazol-1-yl)-2,2-dimethylhexanenitrile
CID 106710215
3-(4-bromopyrazol-1-yl)propanethioamide
CID 61035415
4-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
CID 79362010
4-(4-bromopyrazol-1-yl)-1-phenylbutan-1-one
CID 54910023
1-[3-(4-bromopyrazol-1-yl)propyl]-3-butylurea
CID 19334000
1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine
CID 84693286

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)propylazanium?
The IUPAC name of 3-(4-bromopyrazol-1-yl)propylazanium (CID 7019325) is 3-(4-bromopyrazol-1-yl)propylazanium.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)propylazanium?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)propylazanium is [NH3+]CCCn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)propylazanium?
The InChIKey is UMQTYNMMQRQZLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10BrN3/c7-6-4-9-10(5-6)3-1-2-8/h4-5H,1-3,8H2/p+1.
What are the key properties of 3-(4-bromopyrazol-1-yl)propylazanium?
3-(4-bromopyrazol-1-yl)propylazanium has a molecular weight of 205.08 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)propylazanium is sourced from PubChem (CID 7019325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).