5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide

C17H17N3OS — CID 2414907

IUPAC5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C17H17N3OS/c1-11-4-7-14(8-5-11)20-16(10-12(2)19-20)18-17(21)15-9-6-13(3)22-15/h4-10H,1-3H3,(H,18,21)
InChIKeyPWDTXAVYMHNRCQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.11
Rot. Bonds3

About 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide

5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 2414907) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID2414907
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)c2ccc(C)s2)cc1
InChIInChI=1S/C17H17N3OS/c1-11-4-7-14(8-5-11)20-16(10-12(2)19-20)18-17(21)15-9-6-13(3)22-15/h4-10H,1-3H3,(H,18,21)
InChIKeyPWDTXAVYMHNRCQ-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 2414907) is 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide is Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(C)s2)cc1.
What is the InChIKey of 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is PWDTXAVYMHNRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-11-4-7-14(8-5-11)20-16(10-12(2)19-20)18-17(21)15-9-6-13(3)22-15/h4-10H,1-3H3,(H,18,21).
What are the key properties of 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide?
5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2414907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).