N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide

C15H17N3O2 — CID 42687630

IUPACN-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(-c2ccccc2)n[nH]c1C1CC1
InChIInChI=1S/C15H17N3O2/c1-20-9-12(19)16-15-13(10-5-3-2-4-6-10)17-18-14(15)11-7-8-11/h2-6,11H,7-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyGOCZXIBPDFQICJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.54
Rot. Bonds5

About N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide

N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide (PubChem CID 42687630) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide
PubChem CID42687630
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1c(-c2ccccc2)n[nH]c1C1CC1
InChIInChI=1S/C15H17N3O2/c1-20-9-12(19)16-15-13(10-5-3-2-4-6-10)17-18-14(15)11-7-8-11/h2-6,11H,7-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyGOCZXIBPDFQICJ-UHFFFAOYSA-N
XLogP2.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide?
The IUPAC name of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide (CID 42687630) is N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide?
The canonical SMILES for N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide is COCC(=O)Nc1c(-c2ccccc2)n[nH]c1C1CC1.
What is the InChIKey of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide?
The InChIKey is GOCZXIBPDFQICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-9-12(19)16-15-13(10-5-3-2-4-6-10)17-18-14(15)11-7-8-11/h2-6,11H,7-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide?
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide has a molecular weight of 271.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide is sourced from PubChem (CID 42687630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).