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

C20H21N3OS — CID 129127252

IUPAC3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
SMILESCc1ccccc1-n1ncc2c1CCC[C@H]2NC(=O)c1sccc1C
InChIInChI=1S/C20H21N3OS/c1-13-6-3-4-8-17(13)23-18-9-5-7-16(15(18)12-21-23)22-20(24)19-14(2)10-11-25-19/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyJNZGRBWUWBJCHS-MRXNPFEDSA-N
MW351.48 g/mol
LogP4.36
Rot. Bonds3

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

3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide (PubChem CID 129127252) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
PubChem CID129127252
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
SMILESCc1ccccc1-n1ncc2c1CCC[C@H]2NC(=O)c1sccc1C
InChIInChI=1S/C20H21N3OS/c1-13-6-3-4-8-17(13)23-18-9-5-7-16(15(18)12-21-23)22-20(24)19-14(2)10-11-25-19/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyJNZGRBWUWBJCHS-MRXNPFEDSA-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 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide (CID 129127252) is 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide is Cc1ccccc1-n1ncc2c1CCC[C@H]2NC(=O)c1sccc1C.
What is the InChIKey of 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
The InChIKey is JNZGRBWUWBJCHS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-13-6-3-4-8-17(13)23-18-9-5-7-16(15(18)12-21-23)22-20(24)19-14(2)10-11-25-19/h3-4,6,8,10-12,16H,5,7,9H2,1-2H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide?
3-methyl-N-[(4R)-1-(2-methylphenyl)-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 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 129127252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).