(5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

C24H25F3N4O2 — CID 26232541

IUPAC(5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C24H25F3N4O2/c1-28-23(32)22-20-13-18(29-14-16-7-10-19(11-8-16)33-24(25,26)27)9-12-21(20)31(30-22)15-17-5-3-2-4-6-17/h2-8,10-11,18,29H,9,12-15H2,1H3,(H,28,32)/t18-/m0/s1
InChIKeyMOZHVDNDUHJLNH-SFHVURJKSA-N
MW458.48 g/mol
LogP3.84
Rot. Bonds7

About (5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

(5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 26232541) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is (5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID26232541
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC Name(5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCc1ccc(OC(F)(F)F)cc1)CC2
InChIInChI=1S/C24H25F3N4O2/c1-28-23(32)22-20-13-18(29-14-16-7-10-19(11-8-16)33-24(25,26)27)9-12-21(20)31(30-22)15-17-5-3-2-4-6-17/h2-8,10-11,18,29H,9,12-15H2,1H3,(H,28,32)/t18-/m0/s1
InChIKeyMOZHVDNDUHJLNH-SFHVURJKSA-N
XLogP3.84
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

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Related Compounds

1-benzyl-5-(dimethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162755
[(5S)-1-(2-methylpropyl)-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 26223447
1-benzyl-N-ethyl-5-(3-hydroxypropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164384
N-methyl-5-(2-methylpropylamino)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160989
5-(2-acetamidoethylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160583
1-benzyl-N,N-dimethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165010
1-benzyl-N,N-dimethyl-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165410
5-(cyclohexylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162719
1-benzyl-N,N-dimethyl-5-(3-phenylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161434
N-benzyl-5-[(4-methoxyphenyl)methylamino]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162273
(5S)-1-benzyl-N-ethyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26143697
1-benzyl-N,N-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161005

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 26232541) is (5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H](NCc1ccc(OC(F)(F)F)cc1)CC2.
What is the InChIKey of (5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is MOZHVDNDUHJLNH-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-28-23(32)22-20-13-18(29-14-16-7-10-19(11-8-16)33-24(25,26)27)9-12-21(20)31(30-22)15-17-5-3-2-4-6-17/h2-8,10-11,18,29H,9,12-15H2,1H3,(H,28,32)/t18-/m0/s1.
What are the key properties of (5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
(5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-N-methyl-5-[[4-(trifluoromethoxy)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 26232541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).