3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one

C11H14F3N3O2 — CID 137378997

IUPAC3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one
SMILESC[C@H]1CN(C(=O)C(C)(O)C(F)(F)F)Cc2cn[nH]c21
InChIInChI=1S/C11H14F3N3O2/c1-6-4-17(5-7-3-15-16-8(6)7)9(18)10(2,19)11(12,13)14/h3,6,19H,4-5H2,1-2H3,(H,15,16)/t6-,10?/m0/s1
InChIKeyNCGPBXOHHKQISM-UOQJWNSWSA-N
MW277.25 g/mol
LogP1.17
Rot. Bonds1

About 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one

3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one (PubChem CID 137378997) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one
PubChem CID137378997
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one
SMILESC[C@H]1CN(C(=O)C(C)(O)C(F)(F)F)Cc2cn[nH]c21
InChIInChI=1S/C11H14F3N3O2/c1-6-4-17(5-7-3-15-16-8(6)7)9(18)10(2,19)11(12,13)14/h3,6,19H,4-5H2,1-2H3,(H,15,16)/t6-,10?/m0/s1
InChIKeyNCGPBXOHHKQISM-UOQJWNSWSA-N
XLogP1.17
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine
CID 10398680
(2R)-1-[(7R)-1-tert-butyl-7-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 126527129
(2R)-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 126527239
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7R)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527256
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 126527165
(2R)-1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 126527288
1-(2,2-dimethylpropyl)-3-hydroxy-3-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)-2-piperidinone
CID 45202380
1-(cyclopropylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-ylmethyl)-2-piperidinone
CID 45210551
(2R)-1-[(7S)-1-tert-butyl-7-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 126571857
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 118166853
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 118166854
1-(1-tert-butyl-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 126527131

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one (CID 137378997) is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one is C[C@H]1CN(C(=O)C(C)(O)C(F)(F)F)Cc2cn[nH]c21.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one?
The InChIKey is NCGPBXOHHKQISM-UOQJWNSWSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-6-4-17(5-7-3-15-16-8(6)7)9(18)10(2,19)11(12,13)14/h3,6,19H,4-5H2,1-2H3,(H,15,16)/t6-,10?/m0/s1.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one?
3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one has a molecular weight of 277.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(7S)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 137378997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).