3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride

C6H11Cl2N3 — CID 50944292

IUPAC3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCn1cc(Cl)cn1
InChIInChI=1S/C6H10ClN3.ClH/c7-6-4-9-10(5-6)3-1-2-8;/h4-5H,1-3,8H2;1H
InChIKeyJGGCVMLCCQTTPD-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.31
Rot. Bonds3

About 3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride

3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride (PubChem CID 50944292) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride
PubChem CID50944292
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCn1cc(Cl)cn1
InChIInChI=1S/C6H10ClN3.ClH/c7-6-4-9-10(5-6)3-1-2-8;/h4-5H,1-3,8H2;1H
InChIKeyJGGCVMLCCQTTPD-UHFFFAOYSA-N
XLogP1.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-bromoethyl)-4-chloro-1H-pyrazole
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CID 7018550
2-(4-chloro-1H-pyrazol-1-yl)ethanamine
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3-(4-bromo-1H-pyrazol-1-yl)propan-1-amine
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4-chloro-1-(prop-2-yn-1-yl)-1H-pyrazole
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4-Chloro-1,2-dimethylpyrazol-2-ium
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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride (CID 50944292) is 3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride is Cl.NCCCn1cc(Cl)cn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride?
The InChIKey is JGGCVMLCCQTTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3.ClH/c7-6-4-9-10(5-6)3-1-2-8;/h4-5H,1-3,8H2;1H.
What are the key properties of 3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride?
3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride has a molecular weight of 196.08 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 50944292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).