2-ethyl-4-(1-methylpyrazol-3-yl)aniline

C12H15N3 — CID 103131564

IUPAC2-ethyl-4-(1-methylpyrazol-3-yl)aniline
SMILESCCc1cc(-c2ccn(C)n2)ccc1N
InChIInChI=1S/C12H15N3/c1-3-9-8-10(4-5-11(9)13)12-6-7-15(2)14-12/h4-8H,3,13H2,1-2H3
InChIKeyMFCHCNDRRDSROR-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.23
Rot. Bonds2

About 2-ethyl-4-(1-methylpyrazol-3-yl)aniline

2-ethyl-4-(1-methylpyrazol-3-yl)aniline (PubChem CID 103131564) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-ethyl-4-(1-methylpyrazol-3-yl)aniline.

Molecular Properties

Compound Name2-ethyl-4-(1-methylpyrazol-3-yl)aniline
PubChem CID103131564
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-ethyl-4-(1-methylpyrazol-3-yl)aniline
SMILESCCc1cc(-c2ccn(C)n2)ccc1N
InChIInChI=1S/C12H15N3/c1-3-9-8-10(4-5-11(9)13)12-6-7-15(2)14-12/h4-8H,3,13H2,1-2H3
InChIKeyMFCHCNDRRDSROR-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-methylpyrazol-3-yl)aniline?
The IUPAC name of 2-ethyl-4-(1-methylpyrazol-3-yl)aniline (CID 103131564) is 2-ethyl-4-(1-methylpyrazol-3-yl)aniline.
What is the SMILES notation for 2-ethyl-4-(1-methylpyrazol-3-yl)aniline?
The canonical SMILES for 2-ethyl-4-(1-methylpyrazol-3-yl)aniline is CCc1cc(-c2ccn(C)n2)ccc1N.
What is the InChIKey of 2-ethyl-4-(1-methylpyrazol-3-yl)aniline?
The InChIKey is MFCHCNDRRDSROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-9-8-10(4-5-11(9)13)12-6-7-15(2)14-12/h4-8H,3,13H2,1-2H3.
What are the key properties of 2-ethyl-4-(1-methylpyrazol-3-yl)aniline?
2-ethyl-4-(1-methylpyrazol-3-yl)aniline has a molecular weight of 201.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-methylpyrazol-3-yl)aniline is sourced from PubChem (CID 103131564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).