1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione

C16H11ClN2O2 — CID 103119116

IUPAC1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
SMILESO=C(CC(=O)c1cnn2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2/c17-12-6-4-11(5-7-12)15(20)9-16(21)13-10-18-19-8-2-1-3-14(13)19/h1-8,10H,9H2
InChIKeyDHBVEAGIIDXLAU-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.44
Rot. Bonds4

About 1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione

1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione (PubChem CID 103119116) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
PubChem CID103119116
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
SMILESO=C(CC(=O)c1cnn2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O2/c17-12-6-4-11(5-7-12)15(20)9-16(21)13-10-18-19-8-2-1-3-14(13)19/h1-8,10H,9H2
InChIKeyDHBVEAGIIDXLAU-UHFFFAOYSA-N
XLogP3.44
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
CID 103119106
1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
CID 103119287
4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 90538445
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 107311580
2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124247
(4-chloro-3-methoxyphenyl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103124911
2-(2,4-difluorophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124128
N-(1-chloro-3-methylbutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122641
N-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882438
1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
CID 90538547
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124801
N-(1-chloro-4-methylpentan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106354930

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione (CID 103119116) is 1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione is O=C(CC(=O)c1cnn2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione?
The InChIKey is DHBVEAGIIDXLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-6-4-11(5-7-12)15(20)9-16(21)13-10-18-19-8-2-1-3-14(13)19/h1-8,10H,9H2.
What are the key properties of 1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione?
1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione has a molecular weight of 298.73 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione is sourced from PubChem (CID 103119116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).