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

C13H18N4 — CID 80681002

IUPAC4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(NCCc2cnn(C)c2)c(N)c1
InChIInChI=1S/C13H18N4/c1-10-3-4-13(12(14)7-10)15-6-5-11-8-16-17(2)9-11/h3-4,7-9,15H,5-6,14H2,1-2H3
InChIKeyCZCSJVFSEUTVBR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.97
Rot. Bonds4

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

4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine (PubChem CID 80681002) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
PubChem CID80681002
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(NCCc2cnn(C)c2)c(N)c1
InChIInChI=1S/C13H18N4/c1-10-3-4-13(12(14)7-10)15-6-5-11-8-16-17(2)9-11/h3-4,7-9,15H,5-6,14H2,1-2H3
InChIKeyCZCSJVFSEUTVBR-UHFFFAOYSA-N
XLogP1.97
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.97
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

3-amino-4-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80680600
5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 80681081
4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 83007960
6-N-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 80681156
5-N-[2-(1-methylpyrazol-4-yl)ethyl]isoquinoline-5,8-diamine
CID 80680760
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043
6-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 81131882
ethyl 4-amino-3-[2-(1-methylpyrazol-4-yl)ethylamino]benzoate
CID 82778103
4-bromo-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103688584
4-fluoro-2-iodo-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103734755
6-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3,6-triamine
CID 80680913

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine (CID 80681002) is 4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine is Cc1ccc(NCCc2cnn(C)c2)c(N)c1.
What is the InChIKey of 4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine?
The InChIKey is CZCSJVFSEUTVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-3-4-13(12(14)7-10)15-6-5-11-8-16-17(2)9-11/h3-4,7-9,15H,5-6,14H2,1-2H3.
What are the key properties of 4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine?
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 80681002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).