N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide

C22H25N3O2 — CID 24791124

IUPACN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)o1
InChIInChI=1S/C22H25N3O2/c1-13-7-5-9-19(16(13)4)25-20-10-6-8-18(17(20)12-23-25)24-22(26)21-14(2)11-15(3)27-21/h5,7,9,11-12,18H,6,8,10H2,1-4H3,(H,24,26)
InChIKeyHOCVJGBYFJYMMP-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.51
Rot. Bonds3

About N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide (PubChem CID 24791124) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide
PubChem CID24791124
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)o1
InChIInChI=1S/C22H25N3O2/c1-13-7-5-9-19(16(13)4)25-20-10-6-8-18(17(20)12-23-25)24-22(26)21-14(2)11-15(3)27-21/h5,7,9,11-12,18H,6,8,10H2,1-4H3,(H,24,26)
InChIKeyHOCVJGBYFJYMMP-UHFFFAOYSA-N
XLogP4.51
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 24817171
2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 97135012
3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide
CID 129104723
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide
CID 72915221
1-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propylurea
CID 72867683
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]-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-[(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
4-[[[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-2,6-dimethoxyphenol
CID 45180985
2-[3-[[[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]indol-1-yl]acetamide
CID 42292655
N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 51494543

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide (CID 24791124) is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide is Cc1cc(C)c(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)o1.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide?
The InChIKey is HOCVJGBYFJYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-13-7-5-9-19(16(13)4)25-20-10-6-8-18(17(20)12-23-25)24-22(26)21-14(2)11-15(3)27-21/h5,7,9,11-12,18H,6,8,10H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide?
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 24791124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).