N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

C14H16ClN3O2 — CID 16958288

IUPACN-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C14H16ClN3O2/c1-9-6-10(2)18(17-9)8-14(19)16-12-7-11(15)4-5-13(12)20-3/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyMBRFXTACSATQAJ-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.80
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 16958288) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID16958288
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C14H16ClN3O2/c1-9-6-10(2)18(17-9)8-14(19)16-12-7-11(15)4-5-13(12)20-3/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyMBRFXTACSATQAJ-UHFFFAOYSA-N
XLogP2.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 16958288) is N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1nc(C)cc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is MBRFXTACSATQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-6-10(2)18(17-9)8-14(19)16-12-7-11(15)4-5-13(12)20-3/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 293.75 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 16958288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).