5-methyl-1H-pyrazol-4-amine;dihydrochloride

C4H9Cl2N3 — CID 50998688

IUPAC5-methyl-1H-pyrazol-4-amine;dihydrochloride
SMILESCc1[nH]ncc1N.Cl.Cl
InChIInChI=1S/C4H7N3.2ClH/c1-3-4(5)2-6-7-3;;/h2H,5H2,1H3,(H,6,7);2*1H
InChIKeyQXNDZAPAEACKDJ-UHFFFAOYSA-N
MW170.04 g/mol
LogP1.14
Rot. Bonds

About 5-methyl-1H-pyrazol-4-amine;dihydrochloride

5-methyl-1H-pyrazol-4-amine;dihydrochloride (PubChem CID 50998688) has the molecular formula C4H9Cl2N3 and a molecular weight of 170.04 g/mol. Its IUPAC name is 5-methyl-1H-pyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name5-methyl-1H-pyrazol-4-amine;dihydrochloride
PubChem CID50998688
Molecular FormulaC4H9Cl2N3
Molecular Weight170.04 g/mol
Exact Mass169.02
IUPAC Name5-methyl-1H-pyrazol-4-amine;dihydrochloride
SMILESCc1[nH]ncc1N.Cl.Cl
InChIInChI=1S/C4H7N3.2ClH/c1-3-4(5)2-6-7-3;;/h2H,5H2,1H3,(H,6,7);2*1H
InChIKeyQXNDZAPAEACKDJ-UHFFFAOYSA-N
XLogP1.14
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.04
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrazol-4-amine;dihydrochloride?
The IUPAC name of 5-methyl-1H-pyrazol-4-amine;dihydrochloride (CID 50998688) is 5-methyl-1H-pyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 5-methyl-1H-pyrazol-4-amine;dihydrochloride?
The canonical SMILES for 5-methyl-1H-pyrazol-4-amine;dihydrochloride is Cc1[nH]ncc1N.Cl.Cl.
What is the InChIKey of 5-methyl-1H-pyrazol-4-amine;dihydrochloride?
The InChIKey is QXNDZAPAEACKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.2ClH/c1-3-4(5)2-6-7-3;;/h2H,5H2,1H3,(H,6,7);2*1H.
What are the key properties of 5-methyl-1H-pyrazol-4-amine;dihydrochloride?
5-methyl-1H-pyrazol-4-amine;dihydrochloride has a molecular weight of 170.04 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 50998688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).