2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide

C16H18ClN3O2 — CID 100829183

IUPAC2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide
SMILESO=C(COc1nn(-c2ccccc2)cc1Cl)NC1CCCC1
InChIInChI=1S/C16H18ClN3O2/c17-14-10-20(13-8-2-1-3-9-13)19-16(14)22-11-15(21)18-12-6-4-5-7-12/h1-3,8-10,12H,4-7,11H2,(H,18,21)
InChIKeyZBBSZIOLVBNBOT-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide (PubChem CID 100829183) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide
PubChem CID100829183
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide
SMILESO=C(COc1nn(-c2ccccc2)cc1Cl)NC1CCCC1
InChIInChI=1S/C16H18ClN3O2/c17-14-10-20(13-8-2-1-3-9-13)19-16(14)22-11-15(21)18-12-6-4-5-7-12/h1-3,8-10,12H,4-7,11H2,(H,18,21)
InChIKeyZBBSZIOLVBNBOT-UHFFFAOYSA-N
XLogP2.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxyacetamide
CID 100819839
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide
CID 100829263
ethyl 4-[2-(cyclooctylamino)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750602
3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide
CID 100829150
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 102567233
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(2-fluorophenyl)propyl]acetamide
CID 100829206
[2-(cyclohexylamino)-2-oxoethyl] 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 4070116
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
[2-(cyclopropylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580715
[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031247
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide?
The IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide (CID 100829183) is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide is O=C(COc1nn(-c2ccccc2)cc1Cl)NC1CCCC1.
What is the InChIKey of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide?
The InChIKey is ZBBSZIOLVBNBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-14-10-20(13-8-2-1-3-9-13)19-16(14)22-11-15(21)18-12-6-4-5-7-12/h1-3,8-10,12H,4-7,11H2,(H,18,21).
What are the key properties of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide?
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide has a molecular weight of 319.79 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide is sourced from PubChem (CID 100829183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).