4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine

C9H19N5O — CID 114995368

IUPAC4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine
SMILESCOCCN(C)CCNc1cn[nH]c1N
InChIInChI=1S/C9H19N5O/c1-14(5-6-15-2)4-3-11-8-7-12-13-9(8)10/h7,11H,3-6H2,1-2H3,(H3,10,12,13)
InChIKeyAPVFRTULJNLTHY-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.02
Rot. Bonds7

About 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine

4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine (PubChem CID 114995368) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine
PubChem CID114995368
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine
SMILESCOCCN(C)CCNc1cn[nH]c1N
InChIInChI=1S/C9H19N5O/c1-14(5-6-15-2)4-3-11-8-7-12-13-9(8)10/h7,11H,3-6H2,1-2H3,(H3,10,12,13)
InChIKeyAPVFRTULJNLTHY-UHFFFAOYSA-N
XLogP-0.02
TPSA79.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine (CID 114995368) is 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine is COCCN(C)CCNc1cn[nH]c1N.
What is the InChIKey of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine?
The InChIKey is APVFRTULJNLTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-14(5-6-15-2)4-3-11-8-7-12-13-9(8)10/h7,11H,3-6H2,1-2H3,(H3,10,12,13).
What are the key properties of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine?
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine has a molecular weight of 213.28 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114995368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).