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

C15H14N4O2 — CID 103119287

IUPAC1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
SMILESCCn1cc(C(=O)CC(=O)c2cnn3ccccc23)cn1
InChIInChI=1S/C15H14N4O2/c1-2-18-10-11(8-16-18)14(20)7-15(21)12-9-17-19-6-4-3-5-13(12)19/h3-6,8-10H,2,7H2,1H3
InChIKeyGHYNBDFQDMAVNF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.01
Rot. Bonds5

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

1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione (PubChem CID 103119287) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
PubChem CID103119287
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
SMILESCCn1cc(C(=O)CC(=O)c2cnn3ccccc23)cn1
InChIInChI=1S/C15H14N4O2/c1-2-18-10-11(8-16-18)14(20)7-15(21)12-9-17-19-6-4-3-5-13(12)19/h3-6,8-10H,2,7H2,1H3
InChIKeyGHYNBDFQDMAVNF-UHFFFAOYSA-N
XLogP2.01
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
CID 103119116
1-(4-bromophenyl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione
CID 103119106
N-[2-(ethylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113265553
N-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118085
N-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113336480
N-(2-ethyl-2-hydroxybutyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103711850
N-(2-methylprop-2-enyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104955628
N-(1-hydroxypropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103874523
1-(1-ethylpyrazol-4-yl)-2-naphthalen-1-ylethanone
CID 105083264
N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 114147488
N-[(4-ethylcyclohexyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 136524835
N-(2-chloro-3-ethylpentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106287553

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione (CID 103119287) is 1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione is CCn1cc(C(=O)CC(=O)c2cnn3ccccc23)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione?
The InChIKey is GHYNBDFQDMAVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-18-10-11(8-16-18)14(20)7-15(21)12-9-17-19-6-4-3-5-13(12)19/h3-6,8-10H,2,7H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione?
1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione has a molecular weight of 282.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylpropane-1,3-dione is sourced from PubChem (CID 103119287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).