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

C13H17N3 — CID 66008901

IUPAC4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline
SMILESCCc1nn(C)cc1-c1ccc(N)c(C)c1
InChIInChI=1S/C13H17N3/c1-4-13-11(8-16(3)15-13)10-5-6-12(14)9(2)7-10/h5-8H,4,14H2,1-3H3
InChIKeyPASPRTZECXUWFZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.54
Rot. Bonds2

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

4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline (PubChem CID 66008901) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline.

Molecular Properties

Compound Name4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline
PubChem CID66008901
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline
SMILESCCc1nn(C)cc1-c1ccc(N)c(C)c1
InChIInChI=1S/C13H17N3/c1-4-13-11(8-16(3)15-13)10-5-6-12(14)9(2)7-10/h5-8H,4,14H2,1-3H3
InChIKeyPASPRTZECXUWFZ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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 4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline?
The IUPAC name of 4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline (CID 66008901) is 4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline.
What is the SMILES notation for 4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline?
The canonical SMILES for 4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline is CCc1nn(C)cc1-c1ccc(N)c(C)c1.
What is the InChIKey of 4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline?
The InChIKey is PASPRTZECXUWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-13-11(8-16(3)15-13)10-5-6-12(14)9(2)7-10/h5-8H,4,14H2,1-3H3.
What are the key properties of 4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline?
4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline has a molecular weight of 215.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline is sourced from PubChem (CID 66008901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).