N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide

C14H17N3O2 — CID 110600658

IUPACN-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C14H17N3O2/c1-10(2)17(9-11-6-4-3-5-7-11)14(19)12-8-13(18)16-15-12/h3-8,10H,9H2,1-2H3,(H2,15,16,18)
InChIKeyXROYOKKIXSEIGS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.75
Rot. Bonds4

About N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide

N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide (PubChem CID 110600658) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide
PubChem CID110600658
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C14H17N3O2/c1-10(2)17(9-11-6-4-3-5-7-11)14(19)12-8-13(18)16-15-12/h3-8,10H,9H2,1-2H3,(H2,15,16,18)
InChIKeyXROYOKKIXSEIGS-UHFFFAOYSA-N
XLogP1.75
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 112513822
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CID 113207051
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 110700056
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
N-benzyl-3-methyl-4-oxo-N-propan-2-ylphthalazine-1-carboxamide
CID 18143283
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide (CID 110600658) is N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is XROYOKKIXSEIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)17(9-11-6-4-3-5-7-11)14(19)12-8-13(18)16-15-12/h3-8,10H,9H2,1-2H3,(H2,15,16,18).
What are the key properties of N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide?
N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-oxo-N-propan-2-yl-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110600658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).