4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline

C16H23N3 — CID 81289798

IUPAC4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline
SMILESCCCn1nc(C)c(-c2ccc(N)c(CC)c2)c1C
InChIInChI=1S/C16H23N3/c1-5-9-19-12(4)16(11(3)18-19)14-7-8-15(17)13(6-2)10-14/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyPDFSVAWXCRDCBM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.72
Rot. Bonds4

About 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline

4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline (PubChem CID 81289798) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline.

Molecular Properties

Compound Name4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline
PubChem CID81289798
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline
SMILESCCCn1nc(C)c(-c2ccc(N)c(CC)c2)c1C
InChIInChI=1S/C16H23N3/c1-5-9-19-12(4)16(11(3)18-19)14-7-8-15(17)13(6-2)10-14/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyPDFSVAWXCRDCBM-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.72
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-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline?
The IUPAC name of 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline (CID 81289798) is 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline.
What is the SMILES notation for 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline?
The canonical SMILES for 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline is CCCn1nc(C)c(-c2ccc(N)c(CC)c2)c1C.
What is the InChIKey of 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline?
The InChIKey is PDFSVAWXCRDCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-9-19-12(4)16(11(3)18-19)14-7-8-15(17)13(6-2)10-14/h7-8,10H,5-6,9,17H2,1-4H3.
What are the key properties of 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline?
4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline has a molecular weight of 257.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline is sourced from PubChem (CID 81289798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).