7-hexyl-2-phenylpyrazolo[1,5-a]pyridine

C19H22N2 — CID 51031860

IUPAC7-hexyl-2-phenylpyrazolo[1,5-a]pyridine
SMILESCCCCCCc1cccc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H22N2/c1-2-3-4-8-12-17-13-9-14-18-15-19(20-21(17)18)16-10-6-5-7-11-16/h5-7,9-11,13-15H,2-4,8,12H2,1H3
InChIKeyZHMDWMLNANXCPH-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.12
Rot. Bonds6

About 7-hexyl-2-phenylpyrazolo[1,5-a]pyridine

7-hexyl-2-phenylpyrazolo[1,5-a]pyridine (PubChem CID 51031860) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 7-hexyl-2-phenylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-hexyl-2-phenylpyrazolo[1,5-a]pyridine
PubChem CID51031860
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name7-hexyl-2-phenylpyrazolo[1,5-a]pyridine
SMILESCCCCCCc1cccc2cc(-c3ccccc3)nn12
InChIInChI=1S/C19H22N2/c1-2-3-4-8-12-17-13-9-14-18-15-19(20-21(17)18)16-10-6-5-7-11-16/h5-7,9-11,13-15H,2-4,8,12H2,1H3
InChIKeyZHMDWMLNANXCPH-UHFFFAOYSA-N
XLogP5.12
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.12
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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Related Compounds

7-(2-methylphenyl)-2-phenylpyrazolo[1,5-a]pyridine
CID 51032012
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
1,1'-biphenyl;hexadecane
CID 173308514
2-octylazulene
CID 101406191
3-hexyl-7-(iodomethyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 89324757
3-pyrazolo[1,5-a]pyridin-2-ylphenol
CID 139886847
3-hexyl-2-phenylindolizine
CID 118694319
1-pentadecyl-4-phenylbenzene
CID 57166115
2-(6-phenyl-8-propyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
CID 19104906
2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine
CID 140867035
3-(2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-15-phenyl-21,23-dihydroporphyrin-5-yl)phenol
CID 136756470
2-phenyl-5-undecyl-1H-imidazole
CID 154198104

Frequently Asked Questions

What is the IUPAC name of 7-hexyl-2-phenylpyrazolo[1,5-a]pyridine?
The IUPAC name of 7-hexyl-2-phenylpyrazolo[1,5-a]pyridine (CID 51031860) is 7-hexyl-2-phenylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-hexyl-2-phenylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-hexyl-2-phenylpyrazolo[1,5-a]pyridine is CCCCCCc1cccc2cc(-c3ccccc3)nn12.
What is the InChIKey of 7-hexyl-2-phenylpyrazolo[1,5-a]pyridine?
The InChIKey is ZHMDWMLNANXCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-3-4-8-12-17-13-9-14-18-15-19(20-21(17)18)16-10-6-5-7-11-16/h5-7,9-11,13-15H,2-4,8,12H2,1H3.
What are the key properties of 7-hexyl-2-phenylpyrazolo[1,5-a]pyridine?
7-hexyl-2-phenylpyrazolo[1,5-a]pyridine has a molecular weight of 278.40 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-2-phenylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 51031860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).