N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine

C13H16Cl2N4 — CID 86303534

IUPACN'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N4/c1-19(5-4-16)8-9-7-17-18-13(9)11-3-2-10(14)6-12(11)15/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18)
InChIKeyYFYUAENBYCTPDB-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.77
Rot. Bonds5

About N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine

N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 86303534) has the molecular formula C13H16Cl2N4 and a molecular weight of 299.20 g/mol. Its IUPAC name is N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
PubChem CID86303534
Molecular FormulaC13H16Cl2N4
Molecular Weight299.20 g/mol
Exact Mass298.08
IUPAC NameN'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N4/c1-19(5-4-16)8-9-7-17-18-13(9)11-3-2-10(14)6-12(11)15/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18)
InChIKeyYFYUAENBYCTPDB-UHFFFAOYSA-N
XLogP2.77
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (CID 86303534) is N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1cn[nH]c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is YFYUAENBYCTPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4/c1-19(5-4-16)8-9-7-17-18-13(9)11-3-2-10(14)6-12(11)15/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18).
What are the key properties of N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 299.20 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 86303534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).