4-(3,5-diethylpyrazol-1-yl)-3-methylaniline

C14H19N3 — CID 45095734

IUPAC4-(3,5-diethylpyrazol-1-yl)-3-methylaniline
SMILESCCc1cc(CC)n(-c2ccc(N)cc2C)n1
InChIInChI=1S/C14H19N3/c1-4-12-9-13(5-2)17(16-12)14-7-6-11(15)8-10(14)3/h6-9H,4-5,15H2,1-3H3
InChIKeyXGVUNQYWNSRAKE-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.89
Rot. Bonds3

About 4-(3,5-diethylpyrazol-1-yl)-3-methylaniline

4-(3,5-diethylpyrazol-1-yl)-3-methylaniline (PubChem CID 45095734) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(3,5-diethylpyrazol-1-yl)-3-methylaniline.

Molecular Properties

Compound Name4-(3,5-diethylpyrazol-1-yl)-3-methylaniline
PubChem CID45095734
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(3,5-diethylpyrazol-1-yl)-3-methylaniline
SMILESCCc1cc(CC)n(-c2ccc(N)cc2C)n1
InChIInChI=1S/C14H19N3/c1-4-12-9-13(5-2)17(16-12)14-7-6-11(15)8-10(14)3/h6-9H,4-5,15H2,1-3H3
InChIKeyXGVUNQYWNSRAKE-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.89
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-diethylpyrazol-1-yl)-3-methylaniline?
The IUPAC name of 4-(3,5-diethylpyrazol-1-yl)-3-methylaniline (CID 45095734) is 4-(3,5-diethylpyrazol-1-yl)-3-methylaniline.
What is the SMILES notation for 4-(3,5-diethylpyrazol-1-yl)-3-methylaniline?
The canonical SMILES for 4-(3,5-diethylpyrazol-1-yl)-3-methylaniline is CCc1cc(CC)n(-c2ccc(N)cc2C)n1.
What is the InChIKey of 4-(3,5-diethylpyrazol-1-yl)-3-methylaniline?
The InChIKey is XGVUNQYWNSRAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-12-9-13(5-2)17(16-12)14-7-6-11(15)8-10(14)3/h6-9H,4-5,15H2,1-3H3.
What are the key properties of 4-(3,5-diethylpyrazol-1-yl)-3-methylaniline?
4-(3,5-diethylpyrazol-1-yl)-3-methylaniline has a molecular weight of 229.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylpyrazol-1-yl)-3-methylaniline is sourced from PubChem (CID 45095734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).