1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride

C6H13Cl2N3 — CID 71433421

IUPAC1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride
SMILESCc1cc(C(C)N)n[nH]1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-4-3-6(5(2)7)9-8-4;;/h3,5H,7H2,1-2H3,(H,8,9);2*1H
InChIKeyTUZBLVAXFYCHTI-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.58
Rot. Bonds1

About 1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride

1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride (PubChem CID 71433421) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride
PubChem CID71433421
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride
SMILESCc1cc(C(C)N)n[nH]1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-4-3-6(5(2)7)9-8-4;;/h3,5H,7H2,1-2H3,(H,8,9);2*1H
InChIKeyTUZBLVAXFYCHTI-UHFFFAOYSA-N
XLogP1.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride (CID 71433421) is 1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride is Cc1cc(C(C)N)n[nH]1.Cl.Cl.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride?
The InChIKey is TUZBLVAXFYCHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-4-3-6(5(2)7)9-8-4;;/h3,5H,7H2,1-2H3,(H,8,9);2*1H.
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride?
1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 71433421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).