N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide

C15H18ClN3O2 — CID 19333020

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCCn1cc(Cl)c(CNC(=O)COc2ccccc2C)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-19-9-12(16)13(18-19)8-17-15(20)10-21-14-7-5-4-6-11(14)2/h4-7,9H,3,8,10H2,1-2H3,(H,17,20)
InChIKeyGRFSWZWSFQUTDQ-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.56
Rot. Bonds6

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 19333020) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
PubChem CID19333020
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCCn1cc(Cl)c(CNC(=O)COc2ccccc2C)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-19-9-12(16)13(18-19)8-17-15(20)10-21-14-7-5-4-6-11(14)2/h4-7,9H,3,8,10H2,1-2H3,(H,17,20)
InChIKeyGRFSWZWSFQUTDQ-UHFFFAOYSA-N
XLogP2.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19333065
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chloro-2-methylphenoxy)methyl]benzamide
CID 19332939
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 110783322
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide
CID 19331958
N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110782279
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]propanamide
CID 19331361
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19409457
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121123145
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90490226

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide (CID 19333020) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide is CCn1cc(Cl)c(CNC(=O)COc2ccccc2C)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is GRFSWZWSFQUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-19-9-12(16)13(18-19)8-17-15(20)10-21-14-7-5-4-6-11(14)2/h4-7,9H,3,8,10H2,1-2H3,(H,17,20).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 19333020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).