1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid

C16H22F3N3O2 — CID 118561518

IUPAC1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2c(C(F)(F)F)nn(CCC3CCCCC3)c2C1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)14-12-7-8-21(15(23)24)10-13(12)22(20-14)9-6-11-4-2-1-3-5-11/h11H,1-10H2,(H,23,24)
InChIKeyUXMYNTGZANHNDN-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.91
Rot. Bonds3

About 1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid

1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid (PubChem CID 118561518) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
PubChem CID118561518
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2c(C(F)(F)F)nn(CCC3CCCCC3)c2C1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)14-12-7-8-21(15(23)24)10-13(12)22(20-14)9-6-11-4-2-1-3-5-11/h11H,1-10H2,(H,23,24)
InChIKeyUXMYNTGZANHNDN-UHFFFAOYSA-N
XLogP3.91
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid with MolForge

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Related Compounds

1-(4-Methyl-piperidin-1-yl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-ethanone
CID 649781
1-(3,5-Dimethylpiperidin-1-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanone
CID 168300272
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742494
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742511
1-[6-(cyclopropylmethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118745626
1-tert-Butoxycarbonyl-4-(2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydro-(2H)-indazol-3-yl)piperidine
CID 21912773
2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethylcarbamic acid
CID 66874812
Tert-butyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]carbamic acid
CID 67203652
tert-butyl 1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 69178130
1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 69516617
tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 71204664
1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 87870471

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid (CID 118561518) is 1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid is O=C(O)N1CCc2c(C(F)(F)F)nn(CCC3CCCCC3)c2C1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The InChIKey is UXMYNTGZANHNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c17-16(18,19)14-12-7-8-21(15(23)24)10-13(12)22(20-14)9-6-11-4-2-1-3-5-11/h11H,1-10H2,(H,23,24).
What are the key properties of 1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 118561518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).