5-ethyl-3,4-dihydropyrazole-2-carboxamide

C6H11N3O — CID 55281911

IUPAC5-ethyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1=NN(C(N)=O)CC1
InChIInChI=1S/C6H11N3O/c1-2-5-3-4-9(8-5)6(7)10/h2-4H2,1H3,(H2,7,10)
InChIKeyYUFJLMOGNXRYCJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.54
Rot. Bonds1

About 5-ethyl-3,4-dihydropyrazole-2-carboxamide

5-ethyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 55281911) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-ethyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID55281911
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name5-ethyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1=NN(C(N)=O)CC1
InChIInChI=1S/C6H11N3O/c1-2-5-3-4-9(8-5)6(7)10/h2-4H2,1H3,(H2,7,10)
InChIKeyYUFJLMOGNXRYCJ-UHFFFAOYSA-N
XLogP0.54
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-ethyl-3,4-dihydropyrazole-2-carboxamide (CID 55281911) is 5-ethyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-ethyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-ethyl-3,4-dihydropyrazole-2-carboxamide is CCC1=NN(C(N)=O)CC1.
What is the InChIKey of 5-ethyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is YUFJLMOGNXRYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-5-3-4-9(8-5)6(7)10/h2-4H2,1H3,(H2,7,10).
What are the key properties of 5-ethyl-3,4-dihydropyrazole-2-carboxamide?
5-ethyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 141.17 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 55281911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).