N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide

C15H17N3O2 — CID 134798567

IUPACN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-20-10-15(19)16-14-9-13(11-7-8-11)17-18(14)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,16,19)
InChIKeyXYNXYTLEYOXENU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds5

About N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide (PubChem CID 134798567) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide
PubChem CID134798567
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-20-10-15(19)16-14-9-13(11-7-8-11)17-18(14)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,16,19)
InChIKeyXYNXYTLEYOXENU-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide?
The IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide (CID 134798567) is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide?
The canonical SMILES for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide is COCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide?
The InChIKey is XYNXYTLEYOXENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-10-15(19)16-14-9-13(11-7-8-11)17-18(14)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,16,19).
What are the key properties of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide?
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide has a molecular weight of 271.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide is sourced from PubChem (CID 134798567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).