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

C20H21N3OS — CID 46947977

IUPACN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
SMILESCc1cccc(-n2ncc3c2CCCC3NC(=O)c2cccs2)c1C
InChIInChI=1S/C20H21N3OS/c1-13-6-3-8-17(14(13)2)23-18-9-4-7-16(15(18)12-21-23)22-20(24)19-10-5-11-25-19/h3,5-6,8,10-12,16H,4,7,9H2,1-2H3,(H,22,24)
InChIKeyWEFAONPHSNHNKH-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.36
Rot. Bonds3

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

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide (PubChem CID 46947977) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
PubChem CID46947977
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
SMILESCc1cccc(-n2ncc3c2CCCC3NC(=O)c2cccs2)c1C
InChIInChI=1S/C20H21N3OS/c1-13-6-3-8-17(14(13)2)23-18-9-4-7-16(15(18)12-21-23)22-20(24)19-10-5-11-25-19/h3,5-6,8,10-12,16H,4,7,9H2,1-2H3,(H,22,24)
InChIKeyWEFAONPHSNHNKH-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.36
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]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide (CID 46947977) is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide is Cc1cccc(-n2ncc3c2CCCC3NC(=O)c2cccs2)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
The InChIKey is WEFAONPHSNHNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-13-6-3-8-17(14(13)2)23-18-9-4-7-16(15(18)12-21-23)22-20(24)19-10-5-11-25-19/h3,5-6,8,10-12,16H,4,7,9H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.36, 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]thiophene-2-carboxamide is sourced from PubChem (CID 46947977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).