N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide

C21H23ClN4O2 — CID 18126844

IUPACN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccccc1CN(C)CC(=O)Nc1ccnn1Cc1cccc(Cl)c1
InChIInChI=1S/C21H23ClN4O2/c1-25(14-17-7-3-4-9-19(17)28-2)15-21(27)24-20-10-11-23-26(20)13-16-6-5-8-18(22)12-16/h3-12H,13-15H2,1-2H3,(H,24,27)
InChIKeyIWEPIWVXTIYOBJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.66
Rot. Bonds8

About N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 18126844) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID18126844
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC NameN-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccccc1CN(C)CC(=O)Nc1ccnn1Cc1cccc(Cl)c1
InChIInChI=1S/C21H23ClN4O2/c1-25(14-17-7-3-4-9-19(17)28-2)15-21(27)24-20-10-11-23-26(20)13-16-6-5-8-18(22)12-16/h3-12H,13-15H2,1-2H3,(H,24,27)
InChIKeyIWEPIWVXTIYOBJ-UHFFFAOYSA-N
XLogP3.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 9251272
N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 39911481
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 17464978
1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
CID 2544645
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
CID 55988606
methyl 3-bromo-4-[2-[[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethoxy]benzoate
CID 39036804
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249569
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 43033838

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide (CID 18126844) is N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide is COc1ccccc1CN(C)CC(=O)Nc1ccnn1Cc1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is IWEPIWVXTIYOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-25(14-17-7-3-4-9-19(17)28-2)15-21(27)24-20-10-11-23-26(20)13-16-6-5-8-18(22)12-16/h3-12H,13-15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide?
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 398.89 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 18126844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).