N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide

C14H13N3O2 — CID 5330945

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)C(=O)c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-13(10-4-2-1-3-5-10)14(19)15-12-8-11(16-17-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,15,16,17,19)
InChIKeyGFPPHSHWJZFXOY-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide (PubChem CID 5330945) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide
PubChem CID5330945
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)C(=O)c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-13(10-4-2-1-3-5-10)14(19)15-12-8-11(16-17-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,15,16,17,19)
InChIKeyGFPPHSHWJZFXOY-UHFFFAOYSA-N
XLogP2.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide (CID 5330945) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide is O=C(Nc1cc(C2CC2)[nH]n1)C(=O)c1ccccc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide?
The InChIKey is GFPPHSHWJZFXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13(10-4-2-1-3-5-10)14(19)15-12-8-11(16-17-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,15,16,17,19).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide has a molecular weight of 255.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-oxo-2-phenylacetamide is sourced from PubChem (CID 5330945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).