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

C12H24N4O — CID 113476976

IUPAC5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCOC(C)CNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H24N4O/c1-6-17-9(4)7-14-12-11(13)10(5)15-16(12)8(2)3/h8-9,14H,6-7,13H2,1-5H3
InChIKeyPUMADJUPWAHIGI-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.19
Rot. Bonds6

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

5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 113476976) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID113476976
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCOC(C)CNc1c(N)c(C)nn1C(C)C
InChIInChI=1S/C12H24N4O/c1-6-17-9(4)7-14-12-11(13)10(5)15-16(12)8(2)3/h8-9,14H,6-7,13H2,1-5H3
InChIKeyPUMADJUPWAHIGI-UHFFFAOYSA-N
XLogP2.19
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 113476976) is 5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is CCOC(C)CNc1c(N)c(C)nn1C(C)C.
What is the InChIKey of 5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is PUMADJUPWAHIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-6-17-9(4)7-14-12-11(13)10(5)15-16(12)8(2)3/h8-9,14H,6-7,13H2,1-5H3.
What are the key properties of 5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 240.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 113476976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).