1-methylpyrazole-4,5-diamine

C4H8N4 — CID 10290764

IUPAC1-methylpyrazole-4,5-diamine
SMILESCn1ncc(N)c1N
InChIInChI=1S/C4H8N4/c1-8-4(6)3(5)2-7-8/h2H,5-6H2,1H3
InChIKeyXOAXOKSJNVLLHZ-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.42
Rot. Bonds

About 1-methylpyrazole-4,5-diamine

1-methylpyrazole-4,5-diamine (PubChem CID 10290764) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methylpyrazole-4,5-diamine
PubChem CID10290764
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name1-methylpyrazole-4,5-diamine
SMILESCn1ncc(N)c1N
InChIInChI=1S/C4H8N4/c1-8-4(6)3(5)2-7-8/h2H,5-6H2,1H3
InChIKeyXOAXOKSJNVLLHZ-UHFFFAOYSA-N
XLogP-0.42
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2H-pyrazol-3-ylamine
CID 136927
1-Ethyl-1H-pyrazol-5-amine
CID 337310
1-(propan-2-yl)-1H-pyrazol-5-amine
CID 1090341
1H-Pyrazole, 4,5-diamine-1-methyl-, sulfate (1:1)
CID 21904571
1-(butan-2-yl)-1H-pyrazol-5-amine
CID 3762483
1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-amine
CID 47002600
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-Propyl-1H-pyrazol-5-amine
CID 1084923
1-methyl-1H-pyrazole-4,5-diamine hydrochloride
CID 68601034
1-Methyl-1H-pyrazole-3,4-diamine dihydrochloride
CID 75531037
2-(4,5-Diamino-1H-pyrazol-1-yl)ethan-1-ol
CID 10290847

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazole-4,5-diamine?
The IUPAC name of 1-methylpyrazole-4,5-diamine (CID 10290764) is 1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methylpyrazole-4,5-diamine?
The canonical SMILES for 1-methylpyrazole-4,5-diamine is Cn1ncc(N)c1N.
What is the InChIKey of 1-methylpyrazole-4,5-diamine?
The InChIKey is XOAXOKSJNVLLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-8-4(6)3(5)2-7-8/h2H,5-6H2,1H3.
What are the key properties of 1-methylpyrazole-4,5-diamine?
1-methylpyrazole-4,5-diamine has a molecular weight of 112.14 g/mol, XLogP of -0.42, 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 is sourced from PubChem (CID 10290764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).