1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone

C16H15F3N4O — CID 118674847

IUPAC1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnn2cc(-c3cn(C(C)C)nc3C(F)(F)F)ccc12
InChIInChI=1S/C16H15F3N4O/c1-9(2)22-8-13(15(21-22)16(17,18)19)11-4-5-14-12(10(3)24)6-20-23(14)7-11/h4-9H,1-3H3
InChIKeyTVKWIPXXKRPWAR-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.00
Rot. Bonds3

About 1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone

1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone (PubChem CID 118674847) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
PubChem CID118674847
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnn2cc(-c3cn(C(C)C)nc3C(F)(F)F)ccc12
InChIInChI=1S/C16H15F3N4O/c1-9(2)22-8-13(15(21-22)16(17,18)19)11-4-5-14-12(10(3)24)6-20-23(14)7-11/h4-9H,1-3H3
InChIKeyTVKWIPXXKRPWAR-UHFFFAOYSA-N
XLogP4.00
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone (CID 118674847) is 1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone is CC(=O)c1cnn2cc(-c3cn(C(C)C)nc3C(F)(F)F)ccc12.
What is the InChIKey of 1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The InChIKey is TVKWIPXXKRPWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-9(2)22-8-13(15(21-22)16(17,18)19)11-4-5-14-12(10(3)24)6-20-23(14)7-11/h4-9H,1-3H3.
What are the key properties of 1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone has a molecular weight of 336.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 118674847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).