N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide

C18H16ClN3O2 — CID 2542749

IUPACN-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C18H16ClN3O2/c19-15-6-8-16(9-7-15)24-13-18(23)21-17-10-11-20-22(17)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23)
InChIKeyXXRUPWUJZRDCQE-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.60
Rot. Bonds6

About N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide

N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide (PubChem CID 2542749) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
PubChem CID2542749
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C18H16ClN3O2/c19-15-6-8-16(9-7-15)24-13-18(23)21-17-10-11-20-22(17)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23)
InChIKeyXXRUPWUJZRDCQE-UHFFFAOYSA-N
XLogP3.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806510
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 26725895
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-nitrophenoxy)acetamide
CID 51287740
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 112814343
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(4-cyanophenoxy)acetamide
CID 7504756
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 24509765
N-(2-benzylpyrazol-3-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 42332993

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide (CID 2542749) is N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is XXRUPWUJZRDCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-15-6-8-16(9-7-15)24-13-18(23)21-17-10-11-20-22(17)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide?
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 2542749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).