1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine

C15H22N4 — CID 66013032

IUPAC1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC(C)c1ccccc1C
InChIInChI=1S/C15H22N4/c1-5-19-15(14(16)12(4)18-19)17-11(3)13-9-7-6-8-10(13)2/h6-9,11,17H,5,16H2,1-4H3
InChIKeyPVINETRYASTZMW-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.28
Rot. Bonds4

About 1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine (PubChem CID 66013032) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
PubChem CID66013032
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC(C)c1ccccc1C
InChIInChI=1S/C15H22N4/c1-5-19-15(14(16)12(4)18-19)17-11(3)13-9-7-6-8-10(13)2/h6-9,11,17H,5,16H2,1-4H3
InChIKeyPVINETRYASTZMW-UHFFFAOYSA-N
XLogP3.28
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)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-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine
CID 114182304
1-ethyl-5-N-heptan-2-yl-3-methylpyrazole-4,5-diamine
CID 66011661
5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011469
5-N-(1-cyclohexylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011682
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012411
5-N-[5-(diethylamino)pentan-2-yl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011618
5-N-[2-(difluoromethoxy)phenyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011635
1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine
CID 66012854
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464
1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
CID 66012859
2-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydrazinylethyl]aniline
CID 105223757

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine (CID 66013032) is 1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NC(C)c1ccccc1C.
What is the InChIKey of 1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine?
The InChIKey is PVINETRYASTZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-19-15(14(16)12(4)18-19)17-11(3)13-9-7-6-8-10(13)2/h6-9,11,17H,5,16H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-[1-(2-methylphenyl)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66013032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).