N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide

C19H21N3OS — CID 2473799

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-13-10-11-24-17(13)18(23)20-16-12-15(19(2,3)4)21-22(16)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,20,23)
InChIKeyLMEWIRZRGYYHTR-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.79
Rot. Bonds3

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide (PubChem CID 2473799) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
PubChem CID2473799
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-13-10-11-24-17(13)18(23)20-16-12-15(19(2,3)4)21-22(16)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,20,23)
InChIKeyLMEWIRZRGYYHTR-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide (CID 2473799) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is LMEWIRZRGYYHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-10-11-24-17(13)18(23)20-16-12-15(19(2,3)4)21-22(16)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,20,23).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2473799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).