1-methylpyrazole-4,5-diamine;hydrochloride

C4H9ClN4 — CID 68601034

IUPAC1-methylpyrazole-4,5-diamine;hydrochloride
SMILESCl.Cn1ncc(N)c1N
InChIInChI=1S/C4H8N4.ClH/c1-8-4(6)3(5)2-7-8;/h2H,5-6H2,1H3;1H
InChIKeyOSIGRVFJKMDYNN-UHFFFAOYSA-N
MW148.60 g/mol
LogP0.01
Rot. Bonds

About 1-methylpyrazole-4,5-diamine;hydrochloride

1-methylpyrazole-4,5-diamine;hydrochloride (PubChem CID 68601034) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is 1-methylpyrazole-4,5-diamine;hydrochloride.

Molecular Properties

Compound Name1-methylpyrazole-4,5-diamine;hydrochloride
PubChem CID68601034
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name1-methylpyrazole-4,5-diamine;hydrochloride
SMILESCl.Cn1ncc(N)c1N
InChIInChI=1S/C4H8N4.ClH/c1-8-4(6)3(5)2-7-8;/h2H,5-6H2,1H3;1H
InChIKeyOSIGRVFJKMDYNN-UHFFFAOYSA-N
XLogP0.01
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2H-pyrazol-3-ylamine
CID 136927
1H-Pyrazole, 4,5-diamine-1-methyl-, sulfate (1:1)
CID 21904571
1-Methyl-1H-pyrazol-4-ylamine hydrochloride
CID 17354268
1-Methyl-4-nitro-1H-pyrazol-5-amine
CID 588382
5H-Pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-ethenyl-
CID 3077008
1-Methyl-1H-pyrazole-3,4-diamine dihydrochloride
CID 75531037
1-Methyl-1H-pyrazole-4,5-diamine
CID 10290764
2-(4,5-Diamino-1H-pyrazol-1-yl)ethan-1-ol
CID 10290847
1H-Pyrazol-4-amine, 1-methyl-5-nitro-
CID 588333
1-Ethyl-4-nitrosopyrazol-5-amine;hydrochloride
CID 353773
1-ethyl-4-nitroso-1H-pyrazol-5-amine
CID 353774
N-Isopropyl 4,5-diamino pyrazole sulfate
CID 18541936

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazole-4,5-diamine;hydrochloride?
The IUPAC name of 1-methylpyrazole-4,5-diamine;hydrochloride (CID 68601034) is 1-methylpyrazole-4,5-diamine;hydrochloride.
What is the SMILES notation for 1-methylpyrazole-4,5-diamine;hydrochloride?
The canonical SMILES for 1-methylpyrazole-4,5-diamine;hydrochloride is Cl.Cn1ncc(N)c1N.
What is the InChIKey of 1-methylpyrazole-4,5-diamine;hydrochloride?
The InChIKey is OSIGRVFJKMDYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c1-8-4(6)3(5)2-7-8;/h2H,5-6H2,1H3;1H.
What are the key properties of 1-methylpyrazole-4,5-diamine;hydrochloride?
1-methylpyrazole-4,5-diamine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazole-4,5-diamine;hydrochloride is sourced from PubChem (CID 68601034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).