N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide

C21H16N4O2S — CID 2115330

IUPACN-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H16N4O2S/c22-19(26)16-11-12-28-21(16)23-20(27)18-13-17(14-7-3-1-4-8-14)24-25(18)15-9-5-2-6-10-15/h1-13H,(H2,22,26)(H,23,27)
InChIKeyZWZZNLPHKDSTKH-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.95
Rot. Bonds5

About N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide

N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 2115330) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide
PubChem CID2115330
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC NameN-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H16N4O2S/c22-19(26)16-11-12-28-21(16)23-20(27)18-13-17(14-7-3-1-4-8-14)24-25(18)15-9-5-2-6-10-15/h1-13H,(H2,22,26)(H,23,27)
InChIKeyZWZZNLPHKDSTKH-UHFFFAOYSA-N
XLogP3.95
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide (CID 2115330) is N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide is NC(=O)c1ccsc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is ZWZZNLPHKDSTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c22-19(26)16-11-12-28-21(16)23-20(27)18-13-17(14-7-3-1-4-8-14)24-25(18)15-9-5-2-6-10-15/h1-13H,(H2,22,26)(H,23,27).
What are the key properties of N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylthiophen-2-yl)-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 2115330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).