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

C15H14N4O2S — CID 67399013

IUPAC3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCCNC(=O)c1cc2c(NC(=O)c3ccccc3)[nH]nc2s1
InChIInChI=1S/C15H14N4O2S/c1-2-16-14(21)11-8-10-12(18-19-15(10)22-11)17-13(20)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,21)(H2,17,18,19,20)
InChIKeyANIUMDZSEGOLSU-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.63
Rot. Bonds4

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

3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67399013) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67399013
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCCNC(=O)c1cc2c(NC(=O)c3ccccc3)[nH]nc2s1
InChIInChI=1S/C15H14N4O2S/c1-2-16-14(21)11-8-10-12(18-19-15(10)22-11)17-13(20)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,21)(H2,17,18,19,20)
InChIKeyANIUMDZSEGOLSU-UHFFFAOYSA-N
XLogP2.63
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67399013) is 3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide is CCNC(=O)c1cc2c(NC(=O)c3ccccc3)[nH]nc2s1.
What is the InChIKey of 3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is ANIUMDZSEGOLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-2-16-14(21)11-8-10-12(18-19-15(10)22-11)17-13(20)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,16,21)(H2,17,18,19,20).
What are the key properties of 3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-ethyl-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67399013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).