N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

C11H11N3O2 — CID 110467706

IUPACN-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2)=NN1
InChIInChI=1S/C11H11N3O2/c15-10-6-9(13-14-10)11(16)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16)(H,14,15)
InChIKeyDYAYHTPXAPALMU-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.18
Rot. Bonds3

About N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide

N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 110467706) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID110467706
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2)=NN1
InChIInChI=1S/C11H11N3O2/c15-10-6-9(13-14-10)11(16)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16)(H,14,15)
InChIKeyDYAYHTPXAPALMU-UHFFFAOYSA-N
XLogP0.18
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467740
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397681
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7195012
6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793378
N-[(2-fluorophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8870756
6-oxo-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793824
5-oxo-N-pyridin-4-yl-1,4-dihydropyrazole-3-carboxamide
CID 110467687
N-benzyl-3,4-dioxocyclopentene-1-carboxamide
CID 22157618
N-[(4-cyclopentyloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793798
N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 21008765
N-(1-hydroxy-3-phenylpropan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 63260416

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 110467706) is N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is O=C1CC(C(=O)NCc2ccccc2)=NN1.
What is the InChIKey of N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is DYAYHTPXAPALMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10-6-9(13-14-10)11(16)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,16)(H,14,15).
What are the key properties of N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide?
N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110467706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).