N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine

C16H24N4 — CID 56820927

IUPACN,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(CNCc2cn[nH]c2C)N(C)C)cc1
InChIInChI=1S/C16H24N4/c1-12-5-7-14(8-6-12)16(20(3)4)11-17-9-15-10-18-19-13(15)2/h5-8,10,16-17H,9,11H2,1-4H3,(H,18,19)
InChIKeyAONBIFOATWOXRT-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.42
Rot. Bonds6

About N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine

N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 56820927) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID56820927
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(CNCc2cn[nH]c2C)N(C)C)cc1
InChIInChI=1S/C16H24N4/c1-12-5-7-14(8-6-12)16(20(3)4)11-17-9-15-10-18-19-13(15)2/h5-8,10,16-17H,9,11H2,1-4H3,(H,18,19)
InChIKeyAONBIFOATWOXRT-UHFFFAOYSA-N
XLogP2.42
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine (CID 56820927) is N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine is Cc1ccc(C(CNCc2cn[nH]c2C)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is AONBIFOATWOXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12-5-7-14(8-6-12)16(20(3)4)11-17-9-15-10-18-19-13(15)2/h5-8,10,16-17H,9,11H2,1-4H3,(H,18,19).
What are the key properties of N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylphenyl)-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 56820927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).