N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

C24H23N3O3S — CID 35807692

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2C)cc1
InChIInChI=1S/C24H23N3O3S/c1-15-22(24(29)27(26(15)3)18-8-6-5-7-9-18)25-23(28)21-14-20(16(2)31-21)17-10-12-19(30-4)13-11-17/h5-14H,1-4H3,(H,25,28)
InChIKeyWOHVQBJMPIOIBY-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.78
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 35807692) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID35807692
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2C)cc1
InChIInChI=1S/C24H23N3O3S/c1-15-22(24(29)27(26(15)3)18-8-6-5-7-9-18)25-23(28)21-14-20(16(2)31-21)17-10-12-19(30-4)13-11-17/h5-14H,1-4H3,(H,25,28)
InChIKeyWOHVQBJMPIOIBY-UHFFFAOYSA-N
XLogP4.78
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (CID 35807692) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is COc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2C)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is WOHVQBJMPIOIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-15-22(24(29)27(26(15)3)18-8-6-5-7-9-18)25-23(28)21-14-20(16(2)31-21)17-10-12-19(30-4)13-11-17/h5-14H,1-4H3,(H,25,28).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 35807692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).