1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride

C8H17Cl2N3 — CID 90482954

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride
SMILESCCn1cc(C(C)N)c(C)n1.Cl.Cl
InChIInChI=1S/C8H15N3.2ClH/c1-4-11-5-8(6(2)9)7(3)10-11;;/h5-6H,4,9H2,1-3H3;2*1H
InChIKeyDKGCXHAAULKAOK-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.07
Rot. Bonds2

About 1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride

1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride (PubChem CID 90482954) has the molecular formula C8H17Cl2N3 and a molecular weight of 226.15 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride
PubChem CID90482954
Molecular FormulaC8H17Cl2N3
Molecular Weight226.15 g/mol
Exact Mass225.08
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride
SMILESCCn1cc(C(C)N)c(C)n1.Cl.Cl
InChIInChI=1S/C8H15N3.2ClH/c1-4-11-5-8(6(2)9)7(3)10-11;;/h5-6H,4,9H2,1-3H3;2*1H
InChIKeyDKGCXHAAULKAOK-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride (CID 90482954) is 1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride is CCn1cc(C(C)N)c(C)n1.Cl.Cl.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is DKGCXHAAULKAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.2ClH/c1-4-11-5-8(6(2)9)7(3)10-11;;/h5-6H,4,9H2,1-3H3;2*1H.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride?
1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride has a molecular weight of 226.15 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 90482954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).