1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine

C10H18N4 — CID 166869820

IUPAC1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine
SMILESC=C(NC)Nc1c(C)cnn1C(C)C
InChIInChI=1S/C10H18N4/c1-7(2)14-10(8(3)6-12-14)13-9(4)11-5/h6-7,11,13H,4H2,1-3,5H3
InChIKeyGAIGOCGFOZSBAQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.87
Rot. Bonds4

About 1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine

1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine (PubChem CID 166869820) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine
PubChem CID166869820
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine
SMILESC=C(NC)Nc1c(C)cnn1C(C)C
InChIInChI=1S/C10H18N4/c1-7(2)14-10(8(3)6-12-14)13-9(4)11-5/h6-7,11,13H,4H2,1-3,5H3
InChIKeyGAIGOCGFOZSBAQ-UHFFFAOYSA-N
XLogP1.87
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine?
The IUPAC name of 1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine (CID 166869820) is 1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine is C=C(NC)Nc1c(C)cnn1C(C)C.
What is the InChIKey of 1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine?
The InChIKey is GAIGOCGFOZSBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)14-10(8(3)6-12-14)13-9(4)11-5/h6-7,11,13H,4H2,1-3,5H3.
What are the key properties of 1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine?
1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N'-(4-methyl-1-propan-2-ylpyrazol-5-yl)ethene-1,1-diamine is sourced from PubChem (CID 166869820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).