2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine

C13H18N4 — CID 106035268

IUPAC2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
SMILESCc1ccc(N)c(NCc2cnn(C)c2C)c1
InChIInChI=1S/C13H18N4/c1-9-4-5-12(14)13(6-9)15-7-11-8-16-17(3)10(11)2/h4-6,8,15H,7,14H2,1-3H3
InChIKeyGADWTCRSFXFTCJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds3

About 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine

2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine (PubChem CID 106035268) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
PubChem CID106035268
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
SMILESCc1ccc(N)c(NCc2cnn(C)c2C)c1
InChIInChI=1S/C13H18N4/c1-9-4-5-12(14)13(6-9)15-7-11-8-16-17(3)10(11)2/h4-6,8,15H,7,14H2,1-3H3
InChIKeyGADWTCRSFXFTCJ-UHFFFAOYSA-N
XLogP2.23
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
2-chloro-4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylbenzene-1,4-diamine
CID 114139123
6-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 106035379
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
CID 114139144
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-4-methylbenzonitrile
CID 79523434
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-4,5-diamine
CID 106035329
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79579238
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
CID 79579160
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
CID 106035548
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
methyl 2-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate
CID 106039348

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine (CID 106035268) is 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine is Cc1ccc(N)c(NCc2cnn(C)c2C)c1.
What is the InChIKey of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine?
The InChIKey is GADWTCRSFXFTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-4-5-12(14)13(6-9)15-7-11-8-16-17(3)10(11)2/h4-6,8,15H,7,14H2,1-3H3.
What are the key properties of 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine?
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 106035268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).