4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline

C15H21N3 — CID 82702746

IUPAC4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline
SMILESCCc1nn(C)c(CC)c1-c1ccc(N)c(C)c1
InChIInChI=1S/C15H21N3/c1-5-13-15(14(6-2)18(4)17-13)11-7-8-12(16)10(3)9-11/h7-9H,5-6,16H2,1-4H3
InChIKeyGNLYNFNHTORNQL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.10
Rot. Bonds3

About 4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline

4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline (PubChem CID 82702746) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline.

Molecular Properties

Compound Name4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline
PubChem CID82702746
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline
SMILESCCc1nn(C)c(CC)c1-c1ccc(N)c(C)c1
InChIInChI=1S/C15H21N3/c1-5-13-15(14(6-2)18(4)17-13)11-7-8-12(16)10(3)9-11/h7-9H,5-6,16H2,1-4H3
InChIKeyGNLYNFNHTORNQL-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.10
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-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline?
The IUPAC name of 4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline (CID 82702746) is 4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline.
What is the SMILES notation for 4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline?
The canonical SMILES for 4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline is CCc1nn(C)c(CC)c1-c1ccc(N)c(C)c1.
What is the InChIKey of 4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline?
The InChIKey is GNLYNFNHTORNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-13-15(14(6-2)18(4)17-13)11-7-8-12(16)10(3)9-11/h7-9H,5-6,16H2,1-4H3.
What are the key properties of 4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline?
4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline is sourced from PubChem (CID 82702746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).