5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine

C15H30N4O — CID 66028997

IUPAC5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(CCOC)C(CC)CC
InChIInChI=1S/C15H30N4O/c1-6-9-19-15(14(16)12(4)17-19)18(10-11-20-5)13(7-2)8-3/h13H,6-11,16H2,1-5H3
InChIKeyZGMUEYPBDMYEIJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.83
Rot. Bonds9

About 5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine

5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine (PubChem CID 66028997) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine
PubChem CID66028997
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(CCOC)C(CC)CC
InChIInChI=1S/C15H30N4O/c1-6-9-19-15(14(16)12(4)17-19)18(10-11-20-5)13(7-2)8-3/h13H,6-11,16H2,1-5H3
InChIKeyZGMUEYPBDMYEIJ-UHFFFAOYSA-N
XLogP2.83
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine (CID 66028997) is 5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(CCOC)C(CC)CC.
What is the InChIKey of 5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine?
The InChIKey is ZGMUEYPBDMYEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-6-9-19-15(14(16)12(4)17-19)18(10-11-20-5)13(7-2)8-3/h13H,6-11,16H2,1-5H3.
What are the key properties of 5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine?
5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine has a molecular weight of 282.43 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-3-methyl-5-N-pentan-3-yl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66028997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).