3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one

C16H18N4O2 — CID 16666621

IUPAC3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one
SMILESCOc1ccc(C2=NNC(=O)C2(C)C)c2cc(C3CC3)nn12
InChIInChI=1S/C16H18N4O2/c1-16(2)14(17-18-15(16)21)10-6-7-13(22-3)20-12(10)8-11(19-20)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,18,21)
InChIKeyFBBVWKSZBRMYOX-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.08
Rot. Bonds3

About 3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one

3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one (PubChem CID 16666621) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one
PubChem CID16666621
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one
SMILESCOc1ccc(C2=NNC(=O)C2(C)C)c2cc(C3CC3)nn12
InChIInChI=1S/C16H18N4O2/c1-16(2)14(17-18-15(16)21)10-6-7-13(22-3)20-12(10)8-11(19-20)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,18,21)
InChIKeyFBBVWKSZBRMYOX-UHFFFAOYSA-N
XLogP2.08
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The IUPAC name of 3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one (CID 16666621) is 3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The canonical SMILES for 3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one is COc1ccc(C2=NNC(=O)C2(C)C)c2cc(C3CC3)nn12.
What is the InChIKey of 3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The InChIKey is FBBVWKSZBRMYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-16(2)14(17-18-15(16)21)10-6-7-13(22-3)20-12(10)8-11(19-20)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,18,21).
What are the key properties of 3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one has a molecular weight of 298.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one is sourced from PubChem (CID 16666621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).