4,5-dimethylpyrazole-1,3-diamine

C5H10N4 — CID 126508760

IUPAC4,5-dimethylpyrazole-1,3-diamine
SMILESCc1c(N)nn(N)c1C
InChIInChI=1S/C5H10N4/c1-3-4(2)9(7)8-5(3)6/h7H2,1-2H3,(H2,6,8)
InChIKeyPPEPXLDZBUIPIW-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.20
Rot. Bonds

About 4,5-dimethylpyrazole-1,3-diamine

4,5-dimethylpyrazole-1,3-diamine (PubChem CID 126508760) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 4,5-dimethylpyrazole-1,3-diamine.

Molecular Properties

Compound Name4,5-dimethylpyrazole-1,3-diamine
PubChem CID126508760
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name4,5-dimethylpyrazole-1,3-diamine
SMILESCc1c(N)nn(N)c1C
InChIInChI=1S/C5H10N4/c1-3-4(2)9(7)8-5(3)6/h7H2,1-2H3,(H2,6,8)
InChIKeyPPEPXLDZBUIPIW-UHFFFAOYSA-N
XLogP-0.20
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-1,4-dimethylpyrazol-3-amine
CID 135342785
2,3,6,7-tetramethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 71741698
5-ethyl-1,4-dimethylpyrazol-3-amine
CID 83815114
3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine
CID 177339311
3-methylimidazo[5,1-c][1,2,4]triazole-1,7-diamine
CID 141134889
3-methylpyrazolo[1,5-c]pyrimidin-2-amine
CID 68765492
4-chloro-1-iodo-5-methylpyrazol-3-amine
CID 70974319
5-cyclobutyl-1,4-dimethylpyrazol-3-amine
CID 83845846
5-cyclopentyl-1,4-dimethylpyrazol-3-amine
CID 83846467
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750
4,5-dimethyltriazol-1-amine;ethane
CID 169203689
1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine
CID 144824395

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylpyrazole-1,3-diamine?
The IUPAC name of 4,5-dimethylpyrazole-1,3-diamine (CID 126508760) is 4,5-dimethylpyrazole-1,3-diamine.
What is the SMILES notation for 4,5-dimethylpyrazole-1,3-diamine?
The canonical SMILES for 4,5-dimethylpyrazole-1,3-diamine is Cc1c(N)nn(N)c1C.
What is the InChIKey of 4,5-dimethylpyrazole-1,3-diamine?
The InChIKey is PPEPXLDZBUIPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-3-4(2)9(7)8-5(3)6/h7H2,1-2H3,(H2,6,8).
What are the key properties of 4,5-dimethylpyrazole-1,3-diamine?
4,5-dimethylpyrazole-1,3-diamine has a molecular weight of 126.16 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylpyrazole-1,3-diamine is sourced from PubChem (CID 126508760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).