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

C20H21N3O2 — CID 24793888

IUPACN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide
SMILESCc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccoc2)cc1C
InChIInChI=1S/C20H21N3O2/c1-13-6-7-16(10-14(13)2)23-19-5-3-4-18(17(19)11-21-23)22-20(24)15-8-9-25-12-15/h6-12,18H,3-5H2,1-2H3,(H,22,24)
InChIKeyYLIOUYQBGXPSFN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.89
Rot. Bonds3

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

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide (PubChem CID 24793888) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide
PubChem CID24793888
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide
SMILESCc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccoc2)cc1C
InChIInChI=1S/C20H21N3O2/c1-13-6-7-16(10-14(13)2)23-19-5-3-4-18(17(19)11-21-23)22-20(24)15-8-9-25-12-15/h6-12,18H,3-5H2,1-2H3,(H,22,24)
InChIKeyYLIOUYQBGXPSFN-UHFFFAOYSA-N
XLogP3.89
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide (CID 24793888) is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide is Cc1ccc(-n2ncc3c2CCCC3NC(=O)c2ccoc2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide?
The InChIKey is YLIOUYQBGXPSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-6-7-16(10-14(13)2)23-19-5-3-4-18(17(19)11-21-23)22-20(24)15-8-9-25-12-15/h6-12,18H,3-5H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide?
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide is sourced from PubChem (CID 24793888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).