1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

C14H18Cl2N4 — CID 61438741

IUPAC1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCN(Cc1cnn(C)c1)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N4/c1-19(8-10-7-18-20(2)9-10)13(6-17)14-11(15)4-3-5-12(14)16/h3-5,7,9,13H,6,8,17H2,1-2H3
InChIKeyOPHAREUXDNSTGD-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.86
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 61438741) has the molecular formula C14H18Cl2N4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID61438741
Molecular FormulaC14H18Cl2N4
Molecular Weight313.23 g/mol
Exact Mass312.09
IUPAC Name1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCN(Cc1cnn(C)c1)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H18Cl2N4/c1-19(8-10-7-18-20(2)9-10)13(6-17)14-11(15)4-3-5-12(14)16/h3-5,7,9,13H,6,8,17H2,1-2H3
InChIKeyOPHAREUXDNSTGD-UHFFFAOYSA-N
XLogP2.86
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438696
N-methyl-1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438129
1-(2-bromo-5-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 66155848
1-[3-(difluoromethyl)phenyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 115526821
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438648
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 22196071
3-chloro-1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 104834246
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62134637
1-(2,6-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43110178
1-(3-bromo-4-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 105404837
1-(4-bromo-3-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 66474823
1-(4-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438454

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 61438741) is 1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is CN(Cc1cnn(C)c1)C(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is OPHAREUXDNSTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4/c1-19(8-10-7-18-20(2)9-10)13(6-17)14-11(15)4-3-5-12(14)16/h3-5,7,9,13H,6,8,17H2,1-2H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 313.23 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 61438741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).