5-methyl-1H-pyrazole-3,4-diamine

C4H8N4 — CID 15413224

IUPAC5-methyl-1H-pyrazole-3,4-diamine
SMILESCc1[nH]nc(N)c1N
InChIInChI=1S/C4H8N4/c1-2-3(5)4(6)8-7-2/h5H2,1H3,(H3,6,7,8)
InChIKeyCERNMDUMVTYODE-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.12
Rot. Bonds

About 5-methyl-1H-pyrazole-3,4-diamine

5-methyl-1H-pyrazole-3,4-diamine (PubChem CID 15413224) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name5-methyl-1H-pyrazole-3,4-diamine
PubChem CID15413224
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name5-methyl-1H-pyrazole-3,4-diamine
SMILESCc1[nH]nc(N)c1N
InChIInChI=1S/C4H8N4/c1-2-3(5)4(6)8-7-2/h5H2,1H3,(H3,6,7,8)
InChIKeyCERNMDUMVTYODE-UHFFFAOYSA-N
XLogP-0.12
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-methyl-1H-pyrazol-3-amine
CID 1380716
Cambridge id 5102840
CID 2827047
4,5-Dimethyl-1H-pyrazol-3-ylamine hydrochloride
CID 51071980
4-chloro-5-hydrazinyl-3-methyl-1H-pyrazole
CID 1380715
3-Hydrazinyl-5-methyl-1h-pyrazole
CID 574315
3-Methyl-4-nitro-1H-pyrazol-5-amine
CID 12773552
4,5-dimethyl-1H-pyrazol-3-amine
CID 4737029
4-Fluoro-3-methyl-1H-pyrazol-5-amine
CID 118886597
4-Fluoro-5-methylpyrazole-1,3-diamine
CID 143079570
5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine
CID 174486130
(5-methyl-1H-pyrazol-3-yl)hydrazine;hydrochloride
CID 12727966
5-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-3,4-diamine
CID 114804873

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrazole-3,4-diamine?
The IUPAC name of 5-methyl-1H-pyrazole-3,4-diamine (CID 15413224) is 5-methyl-1H-pyrazole-3,4-diamine.
What is the SMILES notation for 5-methyl-1H-pyrazole-3,4-diamine?
The canonical SMILES for 5-methyl-1H-pyrazole-3,4-diamine is Cc1[nH]nc(N)c1N.
What is the InChIKey of 5-methyl-1H-pyrazole-3,4-diamine?
The InChIKey is CERNMDUMVTYODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-2-3(5)4(6)8-7-2/h5H2,1H3,(H3,6,7,8).
What are the key properties of 5-methyl-1H-pyrazole-3,4-diamine?
5-methyl-1H-pyrazole-3,4-diamine has a molecular weight of 112.14 g/mol, XLogP of -0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazole-3,4-diamine is sourced from PubChem (CID 15413224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).