4-[(3,5-diethylpyrazol-1-yl)methyl]aniline

C14H19N3 — CID 82692087

IUPAC4-[(3,5-diethylpyrazol-1-yl)methyl]aniline
SMILESCCc1cc(CC)n(Cc2ccc(N)cc2)n1
InChIInChI=1S/C14H19N3/c1-3-13-9-14(4-2)17(16-13)10-11-5-7-12(15)8-6-11/h5-9H,3-4,10,15H2,1-2H3
InChIKeyYNXHQJMUCSDHAT-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.64
Rot. Bonds4

About 4-[(3,5-diethylpyrazol-1-yl)methyl]aniline

4-[(3,5-diethylpyrazol-1-yl)methyl]aniline (PubChem CID 82692087) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[(3,5-diethylpyrazol-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(3,5-diethylpyrazol-1-yl)methyl]aniline
PubChem CID82692087
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[(3,5-diethylpyrazol-1-yl)methyl]aniline
SMILESCCc1cc(CC)n(Cc2ccc(N)cc2)n1
InChIInChI=1S/C14H19N3/c1-3-13-9-14(4-2)17(16-13)10-11-5-7-12(15)8-6-11/h5-9H,3-4,10,15H2,1-2H3
InChIKeyYNXHQJMUCSDHAT-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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)methyl]aniline?
The IUPAC name of 4-[(3,5-diethylpyrazol-1-yl)methyl]aniline (CID 82692087) is 4-[(3,5-diethylpyrazol-1-yl)methyl]aniline.
What is the SMILES notation for 4-[(3,5-diethylpyrazol-1-yl)methyl]aniline?
The canonical SMILES for 4-[(3,5-diethylpyrazol-1-yl)methyl]aniline is CCc1cc(CC)n(Cc2ccc(N)cc2)n1.
What is the InChIKey of 4-[(3,5-diethylpyrazol-1-yl)methyl]aniline?
The InChIKey is YNXHQJMUCSDHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-13-9-14(4-2)17(16-13)10-11-5-7-12(15)8-6-11/h5-9H,3-4,10,15H2,1-2H3.
What are the key properties of 4-[(3,5-diethylpyrazol-1-yl)methyl]aniline?
4-[(3,5-diethylpyrazol-1-yl)methyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 2.64, 4 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)methyl]aniline is sourced from PubChem (CID 82692087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).