4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid

C21H26F3N5O3 — CID 167897402

IUPAC4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cnn(C2CCN(C(=O)Nc3ccc4c(c3)CNCC4)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N5O.C2HF3O2/c1-14-11-21-24(13-14)18-5-8-23(9-6-18)19(25)22-17-3-2-15-4-7-20-12-16(15)10-17;3-2(4,5)1(6)7/h2-3,10-11,13,18,20H,4-9,12H2,1H3,(H,22,25);(H,6,7)
InChIKeyAWUVLAUVWHFYPF-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.34
Rot. Bonds2

About 4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid

4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167897402) has the molecular formula C21H26F3N5O3 and a molecular weight of 453.47 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID167897402
Molecular FormulaC21H26F3N5O3
Molecular Weight453.47 g/mol
Exact Mass453.20
IUPAC Name4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cnn(C2CCN(C(=O)Nc3ccc4c(c3)CNCC4)CC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H25N5O.C2HF3O2/c1-14-11-21-24(13-14)18-5-8-23(9-6-18)19(25)22-17-3-2-15-4-7-20-12-16(15)10-17;3-2(4,5)1(6)7/h2-3,10-11,13,18,20H,4-9,12H2,1H3,(H,22,25);(H,6,7)
InChIKeyAWUVLAUVWHFYPF-UHFFFAOYSA-N
XLogP3.34
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide
CID 79163467
N-(2,3-difluoro-4-pyridinyl)-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 167909053
N-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-4-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 166227798
6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 166237499
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
5-methyl-1-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-4-carboxamide
CID 75495888
N-(2-cyclopropylpyrazol-3-yl)-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 167758528
N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide
CID 69182135
N-(3-cyanophenyl)-2-[3-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 66654833
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119581157
N-(2,3-dihydro-1H-isoindol-5-yl)-5,6-dimethoxy-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid
CID 167971379

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 167897402) is 4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid is Cc1cnn(C2CCN(C(=O)Nc3ccc4c(c3)CNCC4)CC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is AWUVLAUVWHFYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.C2HF3O2/c1-14-11-21-24(13-14)18-5-8-23(9-6-18)19(25)22-17-3-2-15-4-7-20-12-16(15)10-17;3-2(4,5)1(6)7/h2-3,10-11,13,18,20H,4-9,12H2,1H3,(H,22,25);(H,6,7).
What are the key properties of 4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 453.47 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167897402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).