3-pentyl-1,5-diphenylpyrazole

C20H22N2 — CID 71583291

IUPAC3-pentyl-1,5-diphenylpyrazole
SMILESCCCCCc1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H22N2/c1-2-3-6-13-18-16-20(17-11-7-4-8-12-17)22(21-18)19-14-9-5-10-15-19/h4-5,7-12,14-16H,2-3,6,13H2,1H3
InChIKeyKVAHLBXCWSNAJN-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.27
Rot. Bonds6

About 3-pentyl-1,5-diphenylpyrazole

3-pentyl-1,5-diphenylpyrazole (PubChem CID 71583291) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-pentyl-1,5-diphenylpyrazole.

Molecular Properties

Compound Name3-pentyl-1,5-diphenylpyrazole
PubChem CID71583291
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name3-pentyl-1,5-diphenylpyrazole
SMILESCCCCCc1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H22N2/c1-2-3-6-13-18-16-20(17-11-7-4-8-12-17)22(21-18)19-14-9-5-10-15-19/h4-5,7-12,14-16H,2-3,6,13H2,1H3
InChIKeyKVAHLBXCWSNAJN-UHFFFAOYSA-N
XLogP5.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1,5-diphenylpyrazole?
The IUPAC name of 3-pentyl-1,5-diphenylpyrazole (CID 71583291) is 3-pentyl-1,5-diphenylpyrazole.
What is the SMILES notation for 3-pentyl-1,5-diphenylpyrazole?
The canonical SMILES for 3-pentyl-1,5-diphenylpyrazole is CCCCCc1cc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 3-pentyl-1,5-diphenylpyrazole?
The InChIKey is KVAHLBXCWSNAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-2-3-6-13-18-16-20(17-11-7-4-8-12-17)22(21-18)19-14-9-5-10-15-19/h4-5,7-12,14-16H,2-3,6,13H2,1H3.
What are the key properties of 3-pentyl-1,5-diphenylpyrazole?
3-pentyl-1,5-diphenylpyrazole has a molecular weight of 290.41 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1,5-diphenylpyrazole is sourced from PubChem (CID 71583291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).