1-ethyl-5-methylpyrazol-4-amine;dihydrochloride

C6H13Cl2N3 — CID 17349595

IUPAC1-ethyl-5-methylpyrazol-4-amine;dihydrochloride
SMILESCCn1ncc(N)c1C.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-3-9-5(2)6(7)4-8-9;;/h4H,3,7H2,1-2H3;2*1H
InChIKeyPCXFBLMWSNZDTP-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.64
Rot. Bonds1

About 1-ethyl-5-methylpyrazol-4-amine;dihydrochloride

1-ethyl-5-methylpyrazol-4-amine;dihydrochloride (PubChem CID 17349595) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is 1-ethyl-5-methylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-ethyl-5-methylpyrazol-4-amine;dihydrochloride
PubChem CID17349595
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name1-ethyl-5-methylpyrazol-4-amine;dihydrochloride
SMILESCCn1ncc(N)c1C.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-3-9-5(2)6(7)4-8-9;;/h4H,3,7H2,1-2H3;2*1H
InChIKeyPCXFBLMWSNZDTP-UHFFFAOYSA-N
XLogP1.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methylpyrazol-4-amine;dihydrochloride?
The IUPAC name of 1-ethyl-5-methylpyrazol-4-amine;dihydrochloride (CID 17349595) is 1-ethyl-5-methylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 1-ethyl-5-methylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for 1-ethyl-5-methylpyrazol-4-amine;dihydrochloride is CCn1ncc(N)c1C.Cl.Cl.
What is the InChIKey of 1-ethyl-5-methylpyrazol-4-amine;dihydrochloride?
The InChIKey is PCXFBLMWSNZDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-3-9-5(2)6(7)4-8-9;;/h4H,3,7H2,1-2H3;2*1H.
What are the key properties of 1-ethyl-5-methylpyrazol-4-amine;dihydrochloride?
1-ethyl-5-methylpyrazol-4-amine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 17349595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).