2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide

C19H26N4O — CID 97135012

IUPAC2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
SMILESCc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)C(C)(C)N)c1C
InChIInChI=1S/C19H26N4O/c1-12-7-5-9-16(13(12)2)23-17-10-6-8-15(14(17)11-21-23)22-18(24)19(3,4)20/h5,7,9,11,15H,6,8,10,20H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyQNVDVIGAFHFHOK-OAHLLOKOSA-N
MW326.44 g/mol
LogP2.72
Rot. Bonds3

About 2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide

2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide (PubChem CID 97135012) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
PubChem CID97135012
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
SMILESCc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)C(C)(C)N)c1C
InChIInChI=1S/C19H26N4O/c1-12-7-5-9-16(13(12)2)23-17-10-6-8-15(14(17)11-21-23)22-18(24)19(3,4)20/h5,7,9,11,15H,6,8,10,20H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyQNVDVIGAFHFHOK-OAHLLOKOSA-N
XLogP2.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propylurea
CID 72867683
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide
CID 24791124
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 24817171
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 42286140
N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 45202811
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide
CID 72915221
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide
CID 24817020
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide
CID 72863166
2-[3-[[[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]indol-1-yl]acetamide
CID 42292655
4-[[[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-2,6-dimethoxyphenol
CID 45180985
3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide
CID 129104723
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 72864626

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide (CID 97135012) is 2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide is Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)C(C)(C)N)c1C.
What is the InChIKey of 2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide?
The InChIKey is QNVDVIGAFHFHOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12-7-5-9-16(13(12)2)23-17-10-6-8-15(14(17)11-21-23)22-18(24)19(3,4)20/h5,7,9,11,15H,6,8,10,20H2,1-4H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide?
2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide is sourced from PubChem (CID 97135012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).