1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

C21H24N4O2S — CID 17474823

IUPAC1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H24N4O2S/c26-21(22-8-9-24-10-12-27-13-11-24)18-16-25(15-17-5-2-1-3-6-17)23-20(18)19-7-4-14-28-19/h1-7,14,16H,8-13,15H2,(H,22,26)
InChIKeyWUXPVBCEIGQWKB-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.72
Rot. Bonds7

About 1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 17474823) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID17474823
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn(Cc2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H24N4O2S/c26-21(22-8-9-24-10-12-27-13-11-24)18-16-25(15-17-5-2-1-3-6-17)23-20(18)19-7-4-14-28-19/h1-7,14,16H,8-13,15H2,(H,22,26)
InChIKeyWUXPVBCEIGQWKB-UHFFFAOYSA-N
XLogP2.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
1-benzyl-N-[3-(2-methylpropoxy)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
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1-benzyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (CID 17474823) is 1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(NCCN1CCOCC1)c1cn(Cc2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is WUXPVBCEIGQWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-21(22-8-9-24-10-12-27-13-11-24)18-16-25(15-17-5-2-1-3-6-17)23-20(18)19-7-4-14-28-19/h1-7,14,16H,8-13,15H2,(H,22,26).
What are the key properties of 1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-morpholin-4-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 17474823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).