5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H34N4O2 — CID 45165471

IUPAC5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1cccc(CN(C)C2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)c1
InChIInChI=1S/C23H34N4O2/c1-16(2)14-27-21-11-10-18(13-20(21)22(24-27)23(28)25(3)4)26(5)15-17-8-7-9-19(12-17)29-6/h7-9,12,16,18H,10-11,13-15H2,1-6H3
InChIKeyOXJGKMICYGQKIG-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.24
Rot. Bonds7

About 5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45165471) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45165471
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1cccc(CN(C)C2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)c1
InChIInChI=1S/C23H34N4O2/c1-16(2)14-27-21-11-10-18(13-20(21)22(24-27)23(28)25(3)4)26(5)15-17-8-7-9-19(12-17)29-6/h7-9,12,16,18H,10-11,13-15H2,1-6H3
InChIKeyOXJGKMICYGQKIG-UHFFFAOYSA-N
XLogP3.24
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(5S)-5-[(3-methoxyphenyl)methyl-methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 26140233
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
N,N-dimethyl-5-[methyl(naphthalen-1-ylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164814
1-benzyl-N,N-dimethyl-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165410
5-[(3-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26220286
N-[(3-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 129034350
1-ethyl-5-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56708644
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
[5-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45161823
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
1-benzyl-5-(dimethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162755
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45165471) is 5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is COc1cccc(CN(C)C2CCc3c(c(C(=O)N(C)C)nn3CC(C)C)C2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is OXJGKMICYGQKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-16(2)14-27-21-11-10-18(13-20(21)22(24-27)23(28)25(3)4)26(5)15-17-8-7-9-19(12-17)29-6/h7-9,12,16,18H,10-11,13-15H2,1-6H3.
What are the key properties of 5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl-methylamino]-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45165471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).