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

C22H25N3O2 — CID 24793912

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

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

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 24793912) 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]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID24793912
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)c(C)o1
InChIInChI=1S/C22H25N3O2/c1-13-7-5-9-20(15(13)3)25-21-10-6-8-19(18(21)12-23-25)24-22(26)17-11-14(2)27-16(17)4/h5,7,9,11-12,19H,6,8,10H2,1-4H3,(H,24,26)
InChIKeyNWCJCVRTXZTKLI-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 24793912) is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)c(C)o1.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is NWCJCVRTXZTKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-13-7-5-9-20(15(13)3)25-21-10-6-8-19(18(21)12-23-25)24-22(26)17-11-14(2)27-16(17)4/h5,7,9,11-12,19H,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]-2,5-dimethylfuran-3-carboxamide?
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-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]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 24793912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).