1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine

C11H20N4O — CID 114465361

IUPAC1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine
SMILESC=C(C)COCCNc1c(N)c(C)nn1C
InChIInChI=1S/C11H20N4O/c1-8(2)7-16-6-5-13-11-10(12)9(3)14-15(11)4/h13H,1,5-7,12H2,2-4H3
InChIKeyXGSYVHRMSVSNFI-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.32
Rot. Bonds6

About 1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine

1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine (PubChem CID 114465361) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine
PubChem CID114465361
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine
SMILESC=C(C)COCCNc1c(N)c(C)nn1C
InChIInChI=1S/C11H20N4O/c1-8(2)7-16-6-5-13-11-10(12)9(3)14-15(11)4/h13H,1,5-7,12H2,2-4H3
InChIKeyXGSYVHRMSVSNFI-UHFFFAOYSA-N
XLogP1.32
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]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

Related Compounds

1,3-dimethyl-5-(morpholin-4-yl)-1H-pyrazol-4-amine dihydrochloride
CID 155822730
1,3-dimethyl-5-morpholino-1H-pyrazol-4-amine
CID 2795380
1,3-dimethyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 63828161
1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66012666
3-methyl-1-propan-2-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66025476
3-methyl-1-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66029021
5-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 105906496
5-N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 105906614
5-N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 105906659
5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 114126957
5-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4,5-diamine
CID 9964444
3-[(4-Amino-1,3-dimethylpyrazol-5-yl)amino]propyl-(2-hydroxyethyl)-dimethylazanium
CID 17865236

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine (CID 114465361) is 1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine is C=C(C)COCCNc1c(N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine?
The InChIKey is XGSYVHRMSVSNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)7-16-6-5-13-11-10(12)9(3)14-15(11)4/h13H,1,5-7,12H2,2-4H3.
What are the key properties of 1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine?
1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 114465361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).