N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide

C20H17N3OS — CID 11302447

IUPACN-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCCN(C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1)c1ccccc1
InChIInChI=1S/C20H17N3OS/c1-2-23(15-11-7-4-8-12-15)20(24)17-13-16-18(21-22-19(16)25-17)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,21,22)
InChIKeyCYYFJXBURTYJHB-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.96
Rot. Bonds4

About N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide

N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 11302447) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID11302447
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCCN(C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1)c1ccccc1
InChIInChI=1S/C20H17N3OS/c1-2-23(15-11-7-4-8-12-15)20(24)17-13-16-18(21-22-19(16)25-17)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,21,22)
InChIKeyCYYFJXBURTYJHB-UHFFFAOYSA-N
XLogP4.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 43582677
N-benzyl-N-methyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-benzyl-3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;ethyl 1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxylate;methane;N-methyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide;methyl 3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylate;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carbonyl chloride;3-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 159876642
5-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-phenylthiophene-2-carboxamide
CID 79977273
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399013
3-(4-bromophenyl)-N-ethyl-N-phenyl-1H-pyrazole-5-carboxamide
CID 39584379
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
N-ethyl-5-methyl-N-phenyl-2H-triazole-4-carboxamide
CID 110691733
4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
CID 46256090
3-amino-2-[ethyl(phenyl)carbamoyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 90866364
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
N-ethyl-4,5-dimethyl-N-phenyl-1,3-thiazole-2-carboxamide
CID 110696368
4-amino-N-ethyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 43642182

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 11302447) is N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide is CCN(C(=O)c1cc2c(-c3ccccc3)[nH]nc2s1)c1ccccc1.
What is the InChIKey of N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is CYYFJXBURTYJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-2-23(15-11-7-4-8-12-15)20(24)17-13-16-18(21-22-19(16)25-17)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,21,22).
What are the key properties of N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3-diphenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 11302447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).