3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine

C12H24N4S — CID 66023712

IUPAC3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
SMILESCSCC(C)CNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H24N4S/c1-8(2)16-12(11(13)10(4)15-16)14-6-9(3)7-17-5/h8-9,14H,6-7,13H2,1-5H3
InChIKeyLDCMBQLEWNXRLY-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.77
Rot. Bonds6

About 3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine

3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66023712) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66023712
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
SMILESCSCC(C)CNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H24N4S/c1-8(2)16-12(11(13)10(4)15-16)14-6-9(3)7-17-5/h8-9,14H,6-7,13H2,1-5H3
InChIKeyLDCMBQLEWNXRLY-UHFFFAOYSA-N
XLogP2.77
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine (CID 66023712) is 3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine is CSCC(C)CNc1c(N)c(C)nn1C(C)C.
What is the InChIKey of 3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is LDCMBQLEWNXRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-8(2)16-12(11(13)10(4)15-16)14-6-9(3)7-17-5/h8-9,14H,6-7,13H2,1-5H3.
What are the key properties of 3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine?
3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 256.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66023712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).