1-(2-cyanoethyl)pyrazole-4-carboxamide

C7H8N4O — CID 71756415

IUPAC1-(2-cyanoethyl)pyrazole-4-carboxamide
SMILESN#CCCn1cc(C(N)=O)cn1
InChIInChI=1S/C7H8N4O/c8-2-1-3-11-5-6(4-10-11)7(9)12/h4-5H,1,3H2,(H2,9,12)
InChIKeySWSWARKJPJOEGV-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.10
Rot. Bonds3

About 1-(2-cyanoethyl)pyrazole-4-carboxamide

1-(2-cyanoethyl)pyrazole-4-carboxamide (PubChem CID 71756415) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-(2-cyanoethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoethyl)pyrazole-4-carboxamide
PubChem CID71756415
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1-(2-cyanoethyl)pyrazole-4-carboxamide
SMILESN#CCCn1cc(C(N)=O)cn1
InChIInChI=1S/C7H8N4O/c8-2-1-3-11-5-6(4-10-11)7(9)12/h4-5H,1,3H2,(H2,9,12)
InChIKeySWSWARKJPJOEGV-UHFFFAOYSA-N
XLogP-0.10
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-cyanoethyl)pyrazole-4-carboxamide (CID 71756415) is 1-(2-cyanoethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-cyanoethyl)pyrazole-4-carboxamide is N#CCCn1cc(C(N)=O)cn1.
What is the InChIKey of 1-(2-cyanoethyl)pyrazole-4-carboxamide?
The InChIKey is SWSWARKJPJOEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-2-1-3-11-5-6(4-10-11)7(9)12/h4-5H,1,3H2,(H2,9,12).
What are the key properties of 1-(2-cyanoethyl)pyrazole-4-carboxamide?
1-(2-cyanoethyl)pyrazole-4-carboxamide has a molecular weight of 164.17 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 71756415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).