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

C14H28N4O2 — CID 66019266

IUPAC5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(CCOC)C(C)COC)c1N
InChIInChI=1S/C14H28N4O2/c1-6-7-12-13(15)14(17(3)16-12)18(8-9-19-4)11(2)10-20-5/h11H,6-10,15H2,1-5H3
InChIKeyKDUAIMJMSZBNTG-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.44
Rot. Bonds9

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

5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66019266) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66019266
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(CCOC)C(C)COC)c1N
InChIInChI=1S/C14H28N4O2/c1-6-7-12-13(15)14(17(3)16-12)18(8-9-19-4)11(2)10-20-5/h11H,6-10,15H2,1-5H3
InChIKeyKDUAIMJMSZBNTG-UHFFFAOYSA-N
XLogP1.44
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine (CID 66019266) is 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(N(CCOC)C(C)COC)c1N.
What is the InChIKey of 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is KDUAIMJMSZBNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-6-7-12-13(15)14(17(3)16-12)18(8-9-19-4)11(2)10-20-5/h11H,6-10,15H2,1-5H3.
What are the key properties of 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 284.40 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).