2-(1,5-dimethylpyrazol-4-yl)aniline

C11H13N3 — CID 66096169

IUPAC2-(1,5-dimethylpyrazol-4-yl)aniline
SMILESCc1c(-c2ccccc2N)cnn1C
InChIInChI=1S/C11H13N3/c1-8-10(7-13-14(8)2)9-5-3-4-6-11(9)12/h3-7H,12H2,1-2H3
InChIKeyAGSUXMJXDFXBEI-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.98
Rot. Bonds1

About 2-(1,5-dimethylpyrazol-4-yl)aniline

2-(1,5-dimethylpyrazol-4-yl)aniline (PubChem CID 66096169) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)aniline
PubChem CID66096169
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)aniline
SMILESCc1c(-c2ccccc2N)cnn1C
InChIInChI=1S/C11H13N3/c1-8-10(7-13-14(8)2)9-5-3-4-6-11(9)12/h3-7H,12H2,1-2H3
InChIKeyAGSUXMJXDFXBEI-UHFFFAOYSA-N
XLogP1.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.98
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

4-[2-(difluoromethyl)phenyl]-1,5-dimethylpyrazole
CID 145090352
2-(1,5-dimethylpyrazol-4-yl)-6-methylpyridin-3-amine;ethane
CID 169253840
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
4-(1,5-dimethylpyrazol-4-yl)-2-methoxypyridin-3-amine
CID 90003532
3-(1-ethyl-5-methylpyrazol-4-yl)-2-methylaniline
CID 107627213
[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888910
3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine
CID 3818607
2-chloro-3-(1,5-dimethylpyrazol-4-yl)benzoic acid
CID 163208344
1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
CID 117307113
[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66097207
2-(5-chloro-2-methyl-1,2,4-triazol-3-yl)aniline
CID 84676485
2-(4-methyl-3-pyridinyl)aniline
CID 65438543

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)aniline?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)aniline (CID 66096169) is 2-(1,5-dimethylpyrazol-4-yl)aniline.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)aniline?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)aniline is Cc1c(-c2ccccc2N)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)aniline?
The InChIKey is AGSUXMJXDFXBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-10(7-13-14(8)2)9-5-3-4-6-11(9)12/h3-7H,12H2,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)aniline?
2-(1,5-dimethylpyrazol-4-yl)aniline has a molecular weight of 187.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)aniline is sourced from PubChem (CID 66096169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).