N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide

C20H20N4OS — CID 994839

IUPACN-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCCCc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1
InChIInChI=1S/C20H20N4OS/c1-4-5-14-6-8-15(9-7-14)18-13(2)26-20(16(18)12-21)23-19(25)17-10-11-22-24(17)3/h6-11H,4-5H2,1-3H3,(H,23,25)
InChIKeyFOKQWXXINLDEJT-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.53
Rot. Bonds5

About N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide

N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 994839) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID994839
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCCCc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1
InChIInChI=1S/C20H20N4OS/c1-4-5-14-6-8-15(9-7-14)18-13(2)26-20(16(18)12-21)23-19(25)17-10-11-22-24(17)3/h6-11H,4-5H2,1-3H3,(H,23,25)
InChIKeyFOKQWXXINLDEJT-UHFFFAOYSA-N
XLogP4.53
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide (CID 994839) is N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide is CCCc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1.
What is the InChIKey of N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is FOKQWXXINLDEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-4-5-14-6-8-15(9-7-14)18-13(2)26-20(16(18)12-21)23-19(25)17-10-11-22-24(17)3/h6-11H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide?
N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 994839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).