2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine

C12H16N4 — CID 61350782

IUPAC2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
SMILESCc1cc(N)ccc1NCc1cnn(C)c1
InChIInChI=1S/C12H16N4/c1-9-5-11(13)3-4-12(9)14-6-10-7-15-16(2)8-10/h3-5,7-8,14H,6,13H2,1-2H3
InChIKeyJNQNSMGTYUEJSO-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.92
Rot. Bonds3

About 2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine

2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine (PubChem CID 61350782) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
PubChem CID61350782
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
SMILESCc1cc(N)ccc1NCc1cnn(C)c1
InChIInChI=1S/C12H16N4/c1-9-5-11(13)3-4-12(9)14-6-10-7-15-16(2)8-10/h3-5,7-8,14H,6,13H2,1-2H3
InChIKeyJNQNSMGTYUEJSO-UHFFFAOYSA-N
XLogP1.92
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
2-chloro-5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 113334227
4-fluoro-5-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 103590050
5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61351156
2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
CID 79770283
5-amino-2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 79896384
4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61350597
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline
CID 43685075
4-amino-3-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 113444132
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
2,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600263

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine (CID 61350782) is 2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine is Cc1cc(N)ccc1NCc1cnn(C)c1.
What is the InChIKey of 2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine?
The InChIKey is JNQNSMGTYUEJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-5-11(13)3-4-12(9)14-6-10-7-15-16(2)8-10/h3-5,7-8,14H,6,13H2,1-2H3.
What are the key properties of 2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine?
2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine has a molecular weight of 216.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 61350782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).