N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

C12H12N4OS — CID 77086067

IUPACN-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCn1cccn1)c1cc2sccc2[nH]1
InChIInChI=1S/C12H12N4OS/c17-12(13-4-6-16-5-1-3-14-16)10-8-11-9(15-10)2-7-18-11/h1-3,5,7-8,15H,4,6H2,(H,13,17)
InChIKeyQDMAGYPNIXSFAV-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.86
Rot. Bonds4

About N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 77086067) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID77086067
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC NameN-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCn1cccn1)c1cc2sccc2[nH]1
InChIInChI=1S/C12H12N4OS/c17-12(13-4-6-16-5-1-3-14-16)10-8-11-9(15-10)2-7-18-11/h1-3,5,7-8,15H,4,6H2,(H,13,17)
InChIKeyQDMAGYPNIXSFAV-UHFFFAOYSA-N
XLogP1.86
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 77086067) is N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(NCCn1cccn1)c1cc2sccc2[nH]1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is QDMAGYPNIXSFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c17-12(13-4-6-16-5-1-3-14-16)10-8-11-9(15-10)2-7-18-11/h1-3,5,7-8,15H,4,6H2,(H,13,17).
What are the key properties of N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 77086067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).