3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline

C13H17N3 — CID 107579812

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline
SMILESCCn1cc(-c2cc(C)cc(N)c2)c(C)n1
InChIInChI=1S/C13H17N3/c1-4-16-8-13(10(3)15-16)11-5-9(2)6-12(14)7-11/h5-8H,4,14H2,1-3H3
InChIKeyUZZXSTMWQSQAHT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.77
Rot. Bonds2

About 3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline

3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline (PubChem CID 107579812) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline
PubChem CID107579812
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline
SMILESCCn1cc(-c2cc(C)cc(N)c2)c(C)n1
InChIInChI=1S/C13H17N3/c1-4-16-8-13(10(3)15-16)11-5-9(2)6-12(14)7-11/h5-8H,4,14H2,1-3H3
InChIKeyUZZXSTMWQSQAHT-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.77
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 3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline (CID 107579812) is 3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline is CCn1cc(-c2cc(C)cc(N)c2)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline?
The InChIKey is UZZXSTMWQSQAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-16-8-13(10(3)15-16)11-5-9(2)6-12(14)7-11/h5-8H,4,14H2,1-3H3.
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline?
3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline has a molecular weight of 215.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-5-methylaniline is sourced from PubChem (CID 107579812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).