N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

C13H19N5 — CID 115291144

IUPACN'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccccn1)CC(N)c1cnn(C)c1
InChIInChI=1S/C13H19N5/c1-17(9-12-5-3-4-6-15-12)10-13(14)11-7-16-18(2)8-11/h3-8,13H,9-10,14H2,1-2H3
InChIKeyYHUQWYHENNWLHS-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.95
Rot. Bonds5

About N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 115291144) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID115291144
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccccn1)CC(N)c1cnn(C)c1
InChIInChI=1S/C13H19N5/c1-17(9-12-5-3-4-6-15-12)10-13(14)11-7-16-18(2)8-11/h3-8,13H,9-10,14H2,1-2H3
InChIKeyYHUQWYHENNWLHS-UHFFFAOYSA-N
XLogP0.95
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564795
2-amino-N-ethyl-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115290980
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115289633
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112660793
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291322
N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291313
1-(4-ethylphenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438554
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291267
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 115289665

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 115291144) is N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is CN(Cc1ccccn1)CC(N)c1cnn(C)c1.
What is the InChIKey of N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is YHUQWYHENNWLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17(9-12-5-3-4-6-15-12)10-13(14)11-7-16-18(2)8-11/h3-8,13H,9-10,14H2,1-2H3.
What are the key properties of N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 115291144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).