2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide

C13H14ClN3O2 — CID 19329147

IUPAC2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H14ClN3O2/c1-17-7-6-11(16-17)8-15-13(18)9-19-12-4-2-10(14)3-5-12/h2-7H,8-9H2,1H3,(H,15,18)
InChIKeyRXFCMKHNKUESOO-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.77
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide

2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19329147) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19329147
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H14ClN3O2/c1-17-7-6-11(16-17)8-15-13(18)9-19-12-4-2-10(14)3-5-12/h2-7H,8-9H2,1H3,(H,15,18)
InChIKeyRXFCMKHNKUESOO-UHFFFAOYSA-N
XLogP1.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone
CID 103133858
2-(4-chlorophenoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 8917153
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
2-(4-chlorophenoxy)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]acetamide
CID 110730520
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 175833533
2-(4-chlorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274351
2-(4-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]acetamide
CID 115598858
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
2-(4-chlorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 110789180
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867291

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide (CID 19329147) is 2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide is Cn1ccc(CNC(=O)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is RXFCMKHNKUESOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-17-7-6-11(16-17)8-15-13(18)9-19-12-4-2-10(14)3-5-12/h2-7H,8-9H2,1H3,(H,15,18).
What are the key properties of 2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 279.73 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19329147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).