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

C17H17N3O2S — CID 1246813

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cs1
InChIInChI=1S/C17H17N3O2S/c1-11-9-13(10-23-11)16(21)18-15-12(2)19(3)20(17(15)22)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,21)
InChIKeyXHBJPSXYJNOHLU-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.11
Rot. Bonds3

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide (PubChem CID 1246813) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide
PubChem CID1246813
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cs1
InChIInChI=1S/C17H17N3O2S/c1-11-9-13(10-23-11)16(21)18-15-12(2)19(3)20(17(15)22)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,21)
InChIKeyXHBJPSXYJNOHLU-UHFFFAOYSA-N
XLogP3.11
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide (CID 1246813) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cs1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is XHBJPSXYJNOHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-9-13(10-23-11)16(21)18-15-12(2)19(3)20(17(15)22)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,21).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1246813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).