5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine

C12H14Cl2N4 — CID 66015975

IUPAC5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C12H14Cl2N4/c1-3-10-11(15)12(18(2)17-10)16-7-4-5-8(13)9(14)6-7/h4-6,16H,3,15H2,1-2H3
InChIKeyGISHONQAABEGRX-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.62
Rot. Bonds3

About 5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 66015975) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID66015975
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2ccc(Cl)c(Cl)c2)c1N
InChIInChI=1S/C12H14Cl2N4/c1-3-10-11(15)12(18(2)17-10)16-7-4-5-8(13)9(14)6-7/h4-6,16H,3,15H2,1-2H3
InChIKeyGISHONQAABEGRX-UHFFFAOYSA-N
XLogP3.62
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine (CID 66015975) is 5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(Nc2ccc(Cl)c(Cl)c2)c1N.
What is the InChIKey of 5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is GISHONQAABEGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-3-10-11(15)12(18(2)17-10)16-7-4-5-8(13)9(14)6-7/h4-6,16H,3,15H2,1-2H3.
What are the key properties of 5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 285.18 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dichlorophenyl)-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66015975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).