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

C15H22N4 — CID 61411834

IUPACN-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1ccccc1CN(C)C(CN)c1cnn(C)c1
InChIInChI=1S/C15H22N4/c1-12-6-4-5-7-13(12)10-18(2)15(8-16)14-9-17-19(3)11-14/h4-7,9,11,15H,8,10,16H2,1-3H3
InChIKeyXNNOKIRUBPQEDK-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.86
Rot. Bonds5

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

N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 61411834) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID61411834
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1ccccc1CN(C)C(CN)c1cnn(C)c1
InChIInChI=1S/C15H22N4/c1-12-6-4-5-7-13(12)10-18(2)15(8-16)14-9-17-19(3)11-14/h4-7,9,11,15H,8,10,16H2,1-3H3
InChIKeyXNNOKIRUBPQEDK-UHFFFAOYSA-N
XLogP1.86
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 61411834) is N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is Cc1ccccc1CN(C)C(CN)c1cnn(C)c1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is XNNOKIRUBPQEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12-6-4-5-7-13(12)10-18(2)15(8-16)14-9-17-19(3)11-14/h4-7,9,11,15H,8,10,16H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 61411834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).