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

C14H20N4 — CID 79762588

IUPAC1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
SMILESCc1ccccc1CCNc1c(N)c(C)nn1C
InChIInChI=1S/C14H20N4/c1-10-6-4-5-7-12(10)8-9-16-14-13(15)11(2)17-18(14)3/h4-7,16H,8-9,15H2,1-3H3
InChIKeyUSPJWERATQIKRT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.27
Rot. Bonds4

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

1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine (PubChem CID 79762588) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
PubChem CID79762588
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
SMILESCc1ccccc1CCNc1c(N)c(C)nn1C
InChIInChI=1S/C14H20N4/c1-10-6-4-5-7-12(10)8-9-16-14-13(15)11(2)17-18(14)3/h4-7,16H,8-9,15H2,1-3H3
InChIKeyUSPJWERATQIKRT-UHFFFAOYSA-N
XLogP2.27
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-5-N-[2-(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

5-N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4,5-diamine
CID 43554049
1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
CID 43554009
1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine
CID 43554200
1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66017234
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79749615
1,3-dimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43554069
5-N-[2-(2-methoxyphenyl)ethyl]-1-methyl-3-propylpyrazole-4,5-diamine
CID 106259807
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749
5-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]pentan-1-ol
CID 107316439
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79756144
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine (CID 79762588) is 1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine is Cc1ccccc1CCNc1c(N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine?
The InChIKey is USPJWERATQIKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-6-4-5-7-12(10)8-9-16-14-13(15)11(2)17-18(14)3/h4-7,16H,8-9,15H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine?
1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 79762588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).