3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline

C12H15N3 — CID 107579808

IUPAC3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline
SMILESCc1cc(N)cc(-c2cn(C)nc2C)c1
InChIInChI=1S/C12H15N3/c1-8-4-10(6-11(13)5-8)12-7-15(3)14-9(12)2/h4-7H,13H2,1-3H3
InChIKeyDTXMGGKASNJJJS-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.29
Rot. Bonds1

About 3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline

3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline (PubChem CID 107579808) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline
PubChem CID107579808
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline
SMILESCc1cc(N)cc(-c2cn(C)nc2C)c1
InChIInChI=1S/C12H15N3/c1-8-4-10(6-11(13)5-8)12-7-15(3)14-9(12)2/h4-7H,13H2,1-3H3
InChIKeyDTXMGGKASNJJJS-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline
CID 107579812
3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
CID 104781282
3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
CID 107627174
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
CID 112559104
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline
CID 65197542
5-(1,3-dimethylpyrazol-4-yl)-2,3-dimethylimidazol-4-amine
CID 83092115
3-(2-chloro-4,5-dimethylphenyl)-5-methylaniline
CID 107579824
3,5-dimethylaniline;hydrofluoride
CID 158073989
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylbenzenesulfonamide
CID 115989044
2-(1,3-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-a]pyridine
CID 113303289
[5-(1,3-dimethylpyrazol-4-yl)-2-methoxyphenyl]methanamine
CID 66009097

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline (CID 107579808) is 3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline is Cc1cc(N)cc(-c2cn(C)nc2C)c1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline?
The InChIKey is DTXMGGKASNJJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-4-10(6-11(13)5-8)12-7-15(3)14-9(12)2/h4-7H,13H2,1-3H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline?
3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline has a molecular weight of 201.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline is sourced from PubChem (CID 107579808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).