3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine

C14H20N4 — CID 64771662

IUPAC3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine
SMILESCC(C)n1ccc(CN(C)c2cccc(N)c2)n1
InChIInChI=1S/C14H20N4/c1-11(2)18-8-7-13(16-18)10-17(3)14-6-4-5-12(15)9-14/h4-9,11H,10,15H2,1-3H3
InChIKeyWMUPGMMIHGMINH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.68
Rot. Bonds4

About 3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine

3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine (PubChem CID 64771662) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine
PubChem CID64771662
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine
SMILESCC(C)n1ccc(CN(C)c2cccc(N)c2)n1
InChIInChI=1S/C14H20N4/c1-11(2)18-8-7-13(16-18)10-17(3)14-6-4-5-12(15)9-14/h4-9,11H,10,15H2,1-3H3
InChIKeyWMUPGMMIHGMINH-UHFFFAOYSA-N
XLogP2.68
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine (CID 64771662) is 3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine is CC(C)n1ccc(CN(C)c2cccc(N)c2)n1.
What is the InChIKey of 3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine?
The InChIKey is WMUPGMMIHGMINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)18-8-7-13(16-18)10-17(3)14-6-4-5-12(15)9-14/h4-9,11H,10,15H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine?
3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(1-propan-2-ylpyrazol-3-yl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 64771662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).