3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C14H14F3N3 — CID 177050326

IUPAC3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCc1c(-c2ccnc(C(F)(F)F)c2)nn2c1CCCC2
InChIInChI=1S/C14H14F3N3/c1-9-11-4-2-3-7-20(11)19-13(9)10-5-6-18-12(8-10)14(15,16)17/h5-6,8H,2-4,7H2,1H3
InChIKeyWGGPVEREZNLZMC-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.61
Rot. Bonds1

About 3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 177050326) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID177050326
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCc1c(-c2ccnc(C(F)(F)F)c2)nn2c1CCCC2
InChIInChI=1S/C14H14F3N3/c1-9-11-4-2-3-7-20(11)19-13(9)10-5-6-18-12(8-10)14(15,16)17/h5-6,8H,2-4,7H2,1H3
InChIKeyWGGPVEREZNLZMC-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methyl-2-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 158993847
(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine;hydrochloride
CID 177296039
5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 177050471
ethane;2-(4-fluoro-3-methylphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(4-fluorophenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-(3-methoxyphenyl)-3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-methyl-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 158365319
methanamine;3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 177051680
2,6-dimethyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide
CID 177051168
3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine
CID 177339311
2-methyl-4-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide
CID 177051543
(4S)-4-azido-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 177051812
4-(3,4-dihydro-2H-chromen-8-yl)-2-(trifluoromethyl)pyridine
CID 165409358
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine
CID 166275105
1-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]propane-2-sulfinamide
CID 177296240

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 177050326) is 3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is Cc1c(-c2ccnc(C(F)(F)F)c2)nn2c1CCCC2.
What is the InChIKey of 3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is WGGPVEREZNLZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9-11-4-2-3-7-20(11)19-13(9)10-5-6-18-12(8-10)14(15,16)17/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 281.28 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 177050326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).