N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C12H10N4OS — CID 78913732

IUPACN-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C12H10N4OS/c13-5-8-6-14-16-11(8)15-12(17)10-4-7-2-1-3-9(7)18-10/h4,6H,1-3H2,(H2,14,15,16,17)
InChIKeyPNQHVULNMJMKKQ-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.08
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 78913732) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID78913732
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C12H10N4OS/c13-5-8-6-14-16-11(8)15-12(17)10-4-7-2-1-3-9(7)18-10/h4,6H,1-3H2,(H2,14,15,16,17)
InChIKeyPNQHVULNMJMKKQ-UHFFFAOYSA-N
XLogP2.08
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 78913732) is N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is N#Cc1cn[nH]c1NC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is PNQHVULNMJMKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-5-8-6-14-16-11(8)15-12(17)10-4-7-2-1-3-9(7)18-10/h4,6H,1-3H2,(H2,14,15,16,17).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 78913732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).