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

C12H14Cl2N4 — CID 66013583

IUPAC5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N4/c1-3-18-12(11(15)7(2)17-18)16-8-4-5-9(13)10(14)6-8/h4-6,16H,3,15H2,1-2H3
InChIKeySYADSDAACZDWSL-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.84
Rot. Bonds3

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

5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 66013583) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID66013583
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N4/c1-3-18-12(11(15)7(2)17-18)16-8-4-5-9(13)10(14)6-8/h4-6,16H,3,15H2,1-2H3
InChIKeySYADSDAACZDWSL-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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)-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine (CID 66013583) is 5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is SYADSDAACZDWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c1-3-18-12(11(15)7(2)17-18)16-8-4-5-9(13)10(14)6-8/h4-6,16H,3,15H2,1-2H3.
What are the key properties of 5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-(3,4-dichlorophenyl)-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 285.18 g/mol, XLogP of 3.84, 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)-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66013583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).