N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C8H16N4 — CID 79779762

IUPACN',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1cnn(C)c1
InChIInChI=1S/C8H16N4/c1-11(2)5-4-9-8-6-10-12(3)7-8/h6-7,9H,4-5H2,1-3H3
InChIKeyPYXNOALKIXNRRG-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.39
Rot. Bonds4

About N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 79779762) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID79779762
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1cnn(C)c1
InChIInChI=1S/C8H16N4/c1-11(2)5-4-9-8-6-10-12(3)7-8/h6-7,9H,4-5H2,1-3H3
InChIKeyPYXNOALKIXNRRG-UHFFFAOYSA-N
XLogP0.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 79779762) is N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CN(C)CCNc1cnn(C)c1.
What is the InChIKey of N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is PYXNOALKIXNRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-11(2)5-4-9-8-6-10-12(3)7-8/h6-7,9H,4-5H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 79779762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).