5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide

C10H17N3O2 — CID 110600694

IUPAC5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C10H17N3O2/c1-3-5-13(6-4-2)10(15)8-7-9(14)12-11-8/h7H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyGSAHWTOEHGDIMJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.97
Rot. Bonds5

About 5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide

5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide (PubChem CID 110600694) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide
PubChem CID110600694
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C10H17N3O2/c1-3-5-13(6-4-2)10(15)8-7-9(14)12-11-8/h7H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyGSAHWTOEHGDIMJ-UHFFFAOYSA-N
XLogP0.97
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of 5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide (CID 110600694) is 5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for 5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide is CCCN(CCC)C(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of 5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is GSAHWTOEHGDIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-13(6-4-2)10(15)8-7-9(14)12-11-8/h7H,3-6H2,1-2H3,(H2,11,12,14).
What are the key properties of 5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide?
5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110600694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).