N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C20H17F3N4O — CID 166361851

IUPACN-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)C1CNCc2ccccc21
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)16-7-3-4-8-17(16)27-10-9-18(26-27)25-19(28)15-12-24-11-13-5-1-2-6-14(13)15/h1-10,15,24H,11-12H2,(H,25,26,28)
InChIKeyUYSOFRSWQIXPBK-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.72
Rot. Bonds3

About N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 166361851) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID166361851
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)C1CNCc2ccccc21
InChIInChI=1S/C20H17F3N4O/c21-20(22,23)16-7-3-4-8-17(16)27-10-9-18(26-27)25-19(28)15-12-24-11-13-5-1-2-6-14(13)15/h1-10,15,24H,11-12H2,(H,25,26,28)
InChIKeyUYSOFRSWQIXPBK-UHFFFAOYSA-N
XLogP3.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723
2-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
CID 110472142
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158
2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560466
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
Elovl1-IN-1
CID 134587945
2-methyl-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589079
(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589089
2-(2-fluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 134589150
2,2-difluoro-1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134589161
1-phenyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134589164

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 166361851) is N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)C1CNCc2ccccc21.
What is the InChIKey of N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is UYSOFRSWQIXPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c21-20(22,23)16-7-3-4-8-17(16)27-10-9-18(26-27)25-19(28)15-12-24-11-13-5-1-2-6-14(13)15/h1-10,15,24H,11-12H2,(H,25,26,28).
What are the key properties of N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 166361851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).