3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine

C11H22N6 — CID 83003565

IUPAC3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NN2CCN(C)CC2)c1N
InChIInChI=1S/C11H22N6/c1-4-9-10(12)11(16(3)13-9)14-17-7-5-15(2)6-8-17/h14H,4-8,12H2,1-3H3
InChIKeyGIGCLKAHCDCINY-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.14
Rot. Bonds3

About 3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine

3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine (PubChem CID 83003565) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine
PubChem CID83003565
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NN2CCN(C)CC2)c1N
InChIInChI=1S/C11H22N6/c1-4-9-10(12)11(16(3)13-9)14-17-7-5-15(2)6-8-17/h14H,4-8,12H2,1-3H3
InChIKeyGIGCLKAHCDCINY-UHFFFAOYSA-N
XLogP0.14
TPSA62.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-methylpiperazin-1-amine
CID 83025580
3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine
CID 66014594
5-N-(2,3-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016356
3-ethyl-1-methyl-5-N-pentylpyrazole-4,5-diamine
CID 66014562
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845380
5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66014444
5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 114086152
5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015985
5-N-[2-(diethylamino)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016551
[1-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-4-methylcyclohexyl]methanol
CID 66014034
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1-cyclopropylethanol
CID 66014043
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]acetate
CID 66016354

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine (CID 83003565) is 3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine is CCc1nn(C)c(NN2CCN(C)CC2)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine?
The InChIKey is GIGCLKAHCDCINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-4-9-10(12)11(16(3)13-9)14-17-7-5-15(2)6-8-17/h14H,4-8,12H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine has a molecular weight of 238.34 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-(4-methylpiperazin-1-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 83003565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).