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

C8H13N3O2 — CID 112513843

IUPACN,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C8H13N3O2/c1-3-11(4-2)8(13)6-5-7(12)10-9-6/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyVFOMJWMWXUJZOW-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.19
Rot. Bonds3

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

N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 112513843) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID112513843
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C8H13N3O2/c1-3-11(4-2)8(13)6-5-7(12)10-9-6/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKeyVFOMJWMWXUJZOW-UHFFFAOYSA-N
XLogP0.19
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 112513843) is N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide is CCN(CC)C(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is VFOMJWMWXUJZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-11(4-2)8(13)6-5-7(12)10-9-6/h5H,3-4H2,1-2H3,(H2,9,10,12).
What are the key properties of N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 112513843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).