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

C4H8Cl3N3 — CID 122164434

IUPAC5-chloro-1-methylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1ncc(N)c1Cl
InChIInChI=1S/C4H6ClN3.2ClH/c1-8-4(5)3(6)2-7-8;;/h2H,6H2,1H3;2*1H
InChIKeyZJDNEGUSDVXBRJ-UHFFFAOYSA-N
MW204.49 g/mol
LogP1.50
Rot. Bonds

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

5-chloro-1-methylpyrazol-4-amine;dihydrochloride (PubChem CID 122164434) has the molecular formula C4H8Cl3N3 and a molecular weight of 204.49 g/mol. Its IUPAC name is 5-chloro-1-methylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name5-chloro-1-methylpyrazol-4-amine;dihydrochloride
PubChem CID122164434
Molecular FormulaC4H8Cl3N3
Molecular Weight204.49 g/mol
Exact Mass202.98
IUPAC Name5-chloro-1-methylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1ncc(N)c1Cl
InChIInChI=1S/C4H6ClN3.2ClH/c1-8-4(5)3(6)2-7-8;;/h2H,6H2,1H3;2*1H
InChIKeyZJDNEGUSDVXBRJ-UHFFFAOYSA-N
XLogP1.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.49
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylpyrazol-4-amine;dihydrochloride?
The IUPAC name of 5-chloro-1-methylpyrazol-4-amine;dihydrochloride (CID 122164434) is 5-chloro-1-methylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 5-chloro-1-methylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for 5-chloro-1-methylpyrazol-4-amine;dihydrochloride is Cl.Cl.Cn1ncc(N)c1Cl.
What is the InChIKey of 5-chloro-1-methylpyrazol-4-amine;dihydrochloride?
The InChIKey is ZJDNEGUSDVXBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3.2ClH/c1-8-4(5)3(6)2-7-8;;/h2H,6H2,1H3;2*1H.
What are the key properties of 5-chloro-1-methylpyrazol-4-amine;dihydrochloride?
5-chloro-1-methylpyrazol-4-amine;dihydrochloride has a molecular weight of 204.49 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 122164434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).