3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C15H16F3N3 — CID 82586621

IUPAC3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCc1nn(-c2cccc(C(F)(F)F)c2)c2c1CNCC2
InChIInChI=1S/C15H16F3N3/c1-2-13-12-9-19-7-6-14(12)21(20-13)11-5-3-4-10(8-11)15(16,17)18/h3-5,8,19H,2,6-7,9H2,1H3
InChIKeyJCBYSQRODVZYPP-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.10
Rot. Bonds2

About 3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82586621) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82586621
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCc1nn(-c2cccc(C(F)(F)F)c2)c2c1CNCC2
InChIInChI=1S/C15H16F3N3/c1-2-13-12-9-19-7-6-14(12)21(20-13)11-5-3-4-10(8-11)15(16,17)18/h3-5,8,19H,2,6-7,9H2,1H3
InChIKeyJCBYSQRODVZYPP-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587639
3-[(2-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4039479
1-(3-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 84647418
1-(3-bromophenyl)-3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110458962
3-ethyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4268812
3-[(4-fluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3539645
3-benzyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4015983
5-ethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 82304029
3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82588694
3-tert-butyl-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587007
3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 66023397
(2S)-4-methyl-2-[[1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pentanoic acid
CID 86779845

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82586621) is 3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCc1nn(-c2cccc(C(F)(F)F)c2)c2c1CNCC2.
What is the InChIKey of 3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is JCBYSQRODVZYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-2-13-12-9-19-7-6-14(12)21(20-13)11-5-3-4-10(8-11)15(16,17)18/h3-5,8,19H,2,6-7,9H2,1H3.
What are the key properties of 3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 295.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82586621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).