2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide

C15H18ClN3O2 — CID 75507798

IUPAC2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
SMILESCOc1cccc(Cl)c1CC(=O)Nc1c(C)c(C)nn1C
InChIInChI=1S/C15H18ClN3O2/c1-9-10(2)18-19(3)15(9)17-14(20)8-11-12(16)6-5-7-13(11)21-4/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyQKOMZWQMRUYMAN-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.88
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide

2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide (PubChem CID 75507798) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
PubChem CID75507798
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
SMILESCOc1cccc(Cl)c1CC(=O)Nc1c(C)c(C)nn1C
InChIInChI=1S/C15H18ClN3O2/c1-9-10(2)18-19(3)15(9)17-14(20)8-11-12(16)6-5-7-13(11)21-4/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyQKOMZWQMRUYMAN-UHFFFAOYSA-N
XLogP2.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 103291777
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
CID 86815497
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(2-chloro-6-methoxyphenyl)methanamine
CID 103292258
3-(2-chloro-6-methoxyphenyl)-2-oxopropanoic acid
CID 104816509
2-(2-chloro-6-methoxyphenyl)-N-cyclohexylacetamide
CID 69037841
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 99834666
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 134700057
4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid
CID 120689371
2-(2,6-dimethoxyphenyl)-N-(4-methyl-1-phenylpyrazol-5-yl)acetamide
CID 75468723
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954500
2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide
CID 86793604

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide (CID 75507798) is 2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide is COc1cccc(Cl)c1CC(=O)Nc1c(C)c(C)nn1C.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
The InChIKey is QKOMZWQMRUYMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9-10(2)18-19(3)15(9)17-14(20)8-11-12(16)6-5-7-13(11)21-4/h5-7H,8H2,1-4H3,(H,17,20).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide?
2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-N-(2,4,5-trimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 75507798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).