1H-pyrazole-4,5-diamine

C3H6N4 — CID 10154007

IUPAC1H-pyrazole-4,5-diamine
SMILESNc1cn[nH]c1N
InChIInChI=1S/C3H6N4/c4-2-1-6-7-3(2)5/h1H,4H2,(H3,5,6,7)
InChIKeyLHGQFZQWSOXLEW-UHFFFAOYSA-N
MW98.11 g/mol
LogP-0.43
Rot. Bonds

About 1H-pyrazole-4,5-diamine

1H-pyrazole-4,5-diamine (PubChem CID 10154007) has the molecular formula C3H6N4 and a molecular weight of 98.11 g/mol. Its IUPAC name is 1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name1H-pyrazole-4,5-diamine
PubChem CID10154007
Molecular FormulaC3H6N4
Molecular Weight98.11 g/mol
Exact Mass98.06
IUPAC Name1H-pyrazole-4,5-diamine
SMILESNc1cn[nH]c1N
InChIInChI=1S/C3H6N4/c4-2-1-6-7-3(2)5/h1H,4H2,(H3,5,6,7)
InChIKeyLHGQFZQWSOXLEW-UHFFFAOYSA-N
XLogP-0.43
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.11
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazol-3-ylamine
CID 74561
4-nitro-1H-pyrazol-5-amine
CID 3613991
1H-pyrazol-4-amine
CID 78035
1H-Pyrazole-4,5-diamine--hydrogen chloride (1/2)
CID 21222877
Azidopyrazole
CID 15323000
1H-pyrazol-3-amine hydrochloride
CID 12198105
3-Hydrazinyl-1H-pyrazole
CID 13529701
3-nitro-1H-Pyrazol-4-amine
CID 15650389
4-nitroso-1H-pyrazol-5-amine
CID 18769505
3-hydrazinyl-4-nitro-1H-pyrazole
CID 20364459
4-isocyano-1H-pyrazol-5-amine
CID 21344679
Iodoaminopyrazole
CID 89630031

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-4,5-diamine?
The IUPAC name of 1H-pyrazole-4,5-diamine (CID 10154007) is 1H-pyrazole-4,5-diamine.
What is the SMILES notation for 1H-pyrazole-4,5-diamine?
The canonical SMILES for 1H-pyrazole-4,5-diamine is Nc1cn[nH]c1N.
What is the InChIKey of 1H-pyrazole-4,5-diamine?
The InChIKey is LHGQFZQWSOXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4/c4-2-1-6-7-3(2)5/h1H,4H2,(H3,5,6,7).
What are the key properties of 1H-pyrazole-4,5-diamine?
1H-pyrazole-4,5-diamine has a molecular weight of 98.11 g/mol, XLogP of -0.43, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-4,5-diamine is sourced from PubChem (CID 10154007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).