N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide

C16H19N3O2 — CID 60594497

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
SMILESCC(C1CC1)n1nccc1NC(=O)COc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-12(13-7-8-13)19-15(9-10-17-19)18-16(20)11-21-14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,18,20)
InChIKeyRQVGMMGYENASBA-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide (PubChem CID 60594497) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
PubChem CID60594497
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
SMILESCC(C1CC1)n1nccc1NC(=O)COc1ccccc1
InChIInChI=1S/C16H19N3O2/c1-12(13-7-8-13)19-15(9-10-17-19)18-16(20)11-21-14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,18,20)
InChIKeyRQVGMMGYENASBA-UHFFFAOYSA-N
XLogP2.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]acetamide
CID 29339507
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 112761610
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112761644
3-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911922
2-(4-iodophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097263
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
CID 122090385
2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
CID 112771337
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1-ethylindol-3-yl)acetamide
CID 71881201

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide (CID 60594497) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide is CC(C1CC1)n1nccc1NC(=O)COc1ccccc1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide?
The InChIKey is RQVGMMGYENASBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(13-7-8-13)19-15(9-10-17-19)18-16(20)11-21-14-5-3-2-4-6-14/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,18,20).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide has a molecular weight of 285.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 60594497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).