2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide

C17H20ClN3O2 — CID 51145877

IUPAC2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C17H20ClN3O2/c18-14-8-4-5-9-15(14)23-12-17(22)20-16-10-11-19-21(16)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,20,22)
InChIKeyNBMFPYGVFOHRNO-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.06
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide

2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide (PubChem CID 51145877) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
PubChem CID51145877
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
SMILESO=C(COc1ccccc1Cl)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C17H20ClN3O2/c18-14-8-4-5-9-15(14)23-12-17(22)20-16-10-11-19-21(16)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,20,22)
InChIKeyNBMFPYGVFOHRNO-UHFFFAOYSA-N
XLogP4.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 35142597
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140097
2-(4-chloro-3-methylphenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 38905946
3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
CID 78807984
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7980188
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16564536
N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022496
N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide
CID 78772045
2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8819868
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide (CID 51145877) is 2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide is O=C(COc1ccccc1Cl)Nc1ccnn1C1CCCCC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
The InChIKey is NBMFPYGVFOHRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-14-8-4-5-9-15(14)23-12-17(22)20-16-10-11-19-21(16)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2,(H,20,22).
What are the key properties of 2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide?
2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide has a molecular weight of 333.82 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide is sourced from PubChem (CID 51145877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).