1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide

C26H32N4O — CID 56857748

IUPAC1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(Cc2ccccc2)c2c1CC(N(C)CCc1ccccc1)CC2
InChIInChI=1S/C26H32N4O/c1-28(2)26(31)25-23-18-22(29(3)17-16-20-10-6-4-7-11-20)14-15-24(23)30(27-25)19-21-12-8-5-9-13-21/h4-13,22H,14-19H2,1-3H3
InChIKeyXLFAGZTXLHBMNE-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.66
Rot. Bonds7

About 1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide

1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 56857748) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID56857748
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(Cc2ccccc2)c2c1CC(N(C)CCc1ccccc1)CC2
InChIInChI=1S/C26H32N4O/c1-28(2)26(31)25-23-18-22(29(3)17-16-20-10-6-4-7-11-20)14-15-24(23)30(27-25)19-21-12-8-5-9-13-21/h4-13,22H,14-19H2,1-3H3
InChIKeyXLFAGZTXLHBMNE-UHFFFAOYSA-N
XLogP3.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N,N-dimethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165010
1-benzyl-N,N-dimethyl-5-(3-phenylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161434
1-benzyl-N,N-dimethyl-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165410
1-benzyl-5-(dimethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162755
1-benzyl-N,N-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161005
5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165471
(5R)-5-[(1-benzylpiperidin-4-yl)amino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26222484
1-benzyl-5-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137557
5-(diethylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161321
N,N-dimethyl-5-[methyl(naphthalen-1-ylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164814
N-benzyl-5-(dimethylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162365
(5S)-1-benzyl-N-ethyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26143697

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 56857748) is 1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide is CN(C)C(=O)c1nn(Cc2ccccc2)c2c1CC(N(C)CCc1ccccc1)CC2.
What is the InChIKey of 1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is XLFAGZTXLHBMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-28(2)26(31)25-23-18-22(29(3)17-16-20-10-6-4-7-11-20)14-15-24(23)30(27-25)19-21-12-8-5-9-13-21/h4-13,22H,14-19H2,1-3H3.
What are the key properties of 1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,N-dimethyl-5-[methyl(2-phenylethyl)amino]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 56857748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).