N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide

C12H14N4O — CID 891902

IUPACN-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2=C(C#N)CCC2)n1
InChIInChI=1S/C12H14N4O/c1-2-16-7-6-11(15-16)12(17)14-10-5-3-4-9(10)8-13/h6-7H,2-5H2,1H3,(H,14,17)
InChIKeyUXRZWQHCEIXAAF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.59
Rot. Bonds3

About N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide

N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 891902) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID891902
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2=C(C#N)CCC2)n1
InChIInChI=1S/C12H14N4O/c1-2-16-7-6-11(15-16)12(17)14-10-5-3-4-9(10)8-13/h6-7H,2-5H2,1H3,(H,14,17)
InChIKeyUXRZWQHCEIXAAF-UHFFFAOYSA-N
XLogP1.59
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide (CID 891902) is N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)NC2=C(C#N)CCC2)n1.
What is the InChIKey of N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is UXRZWQHCEIXAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-16-7-6-11(15-16)12(17)14-10-5-3-4-9(10)8-13/h6-7H,2-5H2,1H3,(H,14,17).
What are the key properties of N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide?
N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopenten-1-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 891902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).