1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine

C16H24N4 — CID 79578411

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CN)c1cnn(C)c1C
InChIInChI=1S/C16H24N4/c1-5-20(15-9-7-6-8-12(15)2)16(10-17)14-11-18-19(4)13(14)3/h6-9,11,16H,5,10,17H2,1-4H3
InChIKeyKGXQHXZJJOWMKM-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.56
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine

1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 79578411) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
PubChem CID79578411
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CN)c1cnn(C)c1C
InChIInChI=1S/C16H24N4/c1-5-20(15-9-7-6-8-12(15)2)16(10-17)14-11-18-19(4)13(14)3/h6-9,11,16H,5,10,17H2,1-4H3
InChIKeyKGXQHXZJJOWMKM-UHFFFAOYSA-N
XLogP2.56
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine (CID 79578411) is 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine is CCN(c1ccccc1C)C(CN)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is KGXQHXZJJOWMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-20(15-9-7-6-8-12(15)2)16(10-17)14-11-18-19(4)13(14)3/h6-9,11,16H,5,10,17H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 79578411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).