N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine

C19H25N3 — CID 45202811

IUPACN-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cccc(-n2ncc3c2CCCC3NC2CCC2)c1C
InChIInChI=1S/C19H25N3/c1-13-6-3-10-18(14(13)2)22-19-11-5-9-17(16(19)12-20-22)21-15-7-4-8-15/h3,6,10,12,15,17,21H,4-5,7-9,11H2,1-2H3
InChIKeyHEINPPJOFOWEIT-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.01
Rot. Bonds3

About N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine

N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 45202811) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID45202811
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cccc(-n2ncc3c2CCCC3NC2CCC2)c1C
InChIInChI=1S/C19H25N3/c1-13-6-3-10-18(14(13)2)22-19-11-5-9-17(16(19)12-20-22)21-15-7-4-8-15/h3,6,10,12,15,17,21H,4-5,7-9,11H2,1-2H3
InChIKeyHEINPPJOFOWEIT-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide
CID 72863166
2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 97135012
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
4-[[[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-2,6-dimethoxyphenol
CID 45180985
N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiohydroxylamine;2-methylpropane
CID 145306123
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
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
2-[3-[[[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]indol-1-yl]acetamide
CID 42292655
1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 45183884

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 45202811) is N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine is Cc1cccc(-n2ncc3c2CCCC3NC2CCC2)c1C.
What is the InChIKey of N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is HEINPPJOFOWEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-13-6-3-10-18(14(13)2)22-19-11-5-9-17(16(19)12-20-22)21-15-7-4-8-15/h3,6,10,12,15,17,21H,4-5,7-9,11H2,1-2H3.
What are the key properties of N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 295.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 45202811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).