2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride

C6H13Cl2N3 — CID 170914659

IUPAC2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride
SMILESCc1cn[nH]c1CCN.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5-4-8-9-6(5)2-3-7;;/h4H,2-3,7H2,1H3,(H,8,9);2*1H
InChIKeyVEKNTVNTFXFUCA-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.06
Rot. Bonds2

About 2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride

2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride (PubChem CID 170914659) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is 2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride
PubChem CID170914659
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride
SMILESCc1cn[nH]c1CCN.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5-4-8-9-6(5)2-3-7;;/h4H,2-3,7H2,1H3,(H,8,9);2*1H
InChIKeyVEKNTVNTFXFUCA-UHFFFAOYSA-N
XLogP1.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride (CID 170914659) is 2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride is Cc1cn[nH]c1CCN.Cl.Cl.
What is the InChIKey of 2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride?
The InChIKey is VEKNTVNTFXFUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-5-4-8-9-6(5)2-3-7;;/h4H,2-3,7H2,1H3,(H,8,9);2*1H.
What are the key properties of 2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride?
2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-pyrazol-5-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 170914659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).