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

C15H18N4O2 — CID 16666580

IUPAC3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one
SMILESCCc1cc2c(C3=NNC(=O)C3(C)C)ccc(OC)n2n1
InChIInChI=1S/C15H18N4O2/c1-5-9-8-11-10(6-7-12(21-4)19(11)18-9)13-15(2,3)14(20)17-16-13/h6-8H,5H2,1-4H3,(H,17,20)
InChIKeyACSDCBWODAPPBR-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.77
Rot. Bonds3

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

3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one (PubChem CID 16666580) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one
PubChem CID16666580
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one
SMILESCCc1cc2c(C3=NNC(=O)C3(C)C)ccc(OC)n2n1
InChIInChI=1S/C15H18N4O2/c1-5-9-8-11-10(6-7-12(21-4)19(11)18-9)13-15(2,3)14(20)17-16-13/h6-8H,5H2,1-4H3,(H,17,20)
InChIKeyACSDCBWODAPPBR-UHFFFAOYSA-N
XLogP1.77
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The IUPAC name of 3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one (CID 16666580) is 3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The canonical SMILES for 3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one is CCc1cc2c(C3=NNC(=O)C3(C)C)ccc(OC)n2n1.
What is the InChIKey of 3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The InChIKey is ACSDCBWODAPPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-5-9-8-11-10(6-7-12(21-4)19(11)18-9)13-15(2,3)14(20)17-16-13/h6-8H,5H2,1-4H3,(H,17,20).
What are the key properties of 3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one?
3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one has a molecular weight of 286.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-7-methoxypyrazolo[1,5-a]pyridin-4-yl)-4,4-dimethyl-1H-pyrazol-5-one is sourced from PubChem (CID 16666580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).