N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide

C15H18ClN3O2 — CID 156770295

IUPACN-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)c(CCNC(=O)Cn2cc(C)cn2)c1
InChIInChI=1S/C15H18ClN3O2/c1-11-8-18-19(9-11)10-15(20)17-6-5-12-7-13(21-2)3-4-14(12)16/h3-4,7-9H,5-6,10H2,1-2H3,(H,17,20)
InChIKeyMSLDZTLHZGCQKF-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide

N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 156770295) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID156770295
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)c(CCNC(=O)Cn2cc(C)cn2)c1
InChIInChI=1S/C15H18ClN3O2/c1-11-8-18-19(9-11)10-15(20)17-6-5-12-7-13(21-2)3-4-14(12)16/h3-4,7-9H,5-6,10H2,1-2H3,(H,17,20)
InChIKeyMSLDZTLHZGCQKF-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)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

N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602
N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649568
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
N-butyl-2-(4-methylpyrazol-1-yl)acetamide
CID 19526650
N-(2-amino-4-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874215
N-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-chloroacetamide
CID 166415743
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2701039
2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145052
N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 166424763

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 156770295) is N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide is COc1ccc(Cl)c(CCNC(=O)Cn2cc(C)cn2)c1.
What is the InChIKey of N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is MSLDZTLHZGCQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-11-8-18-19(9-11)10-15(20)17-6-5-12-7-13(21-2)3-4-14(12)16/h3-4,7-9H,5-6,10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 156770295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).