N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C23H21N3O2S — CID 2336056

IUPACN-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N(CCO)Cc1ccccc1
InChIInChI=1S/C23H21N3O2S/c27-14-13-25(16-18-8-3-1-4-9-18)23(28)20-17-26(19-10-5-2-6-11-19)24-22(20)21-12-7-15-29-21/h1-12,15,17,27H,13-14,16H2
InChIKeyAGFZURJKVLBPDF-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.24
Rot. Bonds7

About N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 2336056) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID2336056
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N(CCO)Cc1ccccc1
InChIInChI=1S/C23H21N3O2S/c27-14-13-25(16-18-8-3-1-4-9-18)23(28)20-17-26(19-10-5-2-6-11-19)24-22(20)21-12-7-15-29-21/h1-12,15,17,27H,13-14,16H2
InChIKeyAGFZURJKVLBPDF-UHFFFAOYSA-N
XLogP4.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 620226
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
Morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2140148
1H-Pyrazole-4-carboxamide, N-2-naphthalenyl-1-phenyl-3-(2-thienyl)-
CID 2308236
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-(4-chlorophenyl)-5-methyl-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)-4-pyrazolecarboxamide
CID 2810624
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
6-[(5E)-4-oxo-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 1632447

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 2336056) is N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is AGFZURJKVLBPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-14-13-25(16-18-8-3-1-4-9-18)23(28)20-17-26(19-10-5-2-6-11-19)24-22(20)21-12-7-15-29-21/h1-12,15,17,27H,13-14,16H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 2336056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).