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

C21H23N3O3 — CID 24794118

IUPACN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)o1
InChIInChI=1S/C21H23N3O3/c1-13-6-4-8-17(14(13)2)24-18-9-5-7-16(15(18)12-22-24)23-21(25)19-10-11-20(26-3)27-19/h4,6,8,10-12,16H,5,7,9H2,1-3H3,(H,23,25)
InChIKeyKRGLEARXBIGNES-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.90
Rot. Bonds4

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

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide (PubChem CID 24794118) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
PubChem CID24794118
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)o1
InChIInChI=1S/C21H23N3O3/c1-13-6-4-8-17(14(13)2)24-18-9-5-7-16(15(18)12-22-24)23-21(25)19-10-11-20(26-3)27-19/h4,6,8,10-12,16H,5,7,9H2,1-3H3,(H,23,25)
InChIKeyKRGLEARXBIGNES-UHFFFAOYSA-N
XLogP3.90
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide (CID 24794118) is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide is COc1ccc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)o1.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
The InChIKey is KRGLEARXBIGNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-6-4-8-17(14(13)2)24-18-9-5-7-16(15(18)12-22-24)23-21(25)19-10-11-20(26-3)27-19/h4,6,8,10-12,16H,5,7,9H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide is sourced from PubChem (CID 24794118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).