1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine

C14H20N4 — CID 112669491

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)Nc1ccccc1
InChIInChI=1S/C14H20N4/c1-3-13-12(10-18(2)17-13)14(9-15)16-11-7-5-4-6-8-11/h4-8,10,14,16H,3,9,15H2,1-2H3
InChIKeyHPPIJNUIIOKMOF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.09
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine

1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine (PubChem CID 112669491) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
PubChem CID112669491
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)Nc1ccccc1
InChIInChI=1S/C14H20N4/c1-3-13-12(10-18(2)17-13)14(9-15)16-11-7-5-4-6-8-11/h4-8,10,14,16H,3,9,15H2,1-2H3
InChIKeyHPPIJNUIIOKMOF-UHFFFAOYSA-N
XLogP2.09
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-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

N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669529
3-[[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]amino]propan-1-ol
CID 112669542
N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669590
1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine
CID 112669602
1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616015
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949
N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102812507
1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 114161042
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
2-(3-bromo-4-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 115990580

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine (CID 112669491) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine is CCc1nn(C)cc1C(CN)Nc1ccccc1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine?
The InChIKey is HPPIJNUIIOKMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-13-12(10-18(2)17-13)14(9-15)16-11-7-5-4-6-8-11/h4-8,10,14,16H,3,9,15H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 112669491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).