2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide

C21H23ClN4O — CID 55823265

IUPAC2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NCCc3cccnc3)c2C)cc1Cl
InChIInChI=1S/C21H23ClN4O/c1-14-6-7-18(11-20(14)22)26-16(3)19(15(2)25-26)12-21(27)24-10-8-17-5-4-9-23-13-17/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,24,27)
InChIKeyPRLRAWZPEJEGBA-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.75
Rot. Bonds6

About 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide

2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide (PubChem CID 55823265) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide
PubChem CID55823265
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NCCc3cccnc3)c2C)cc1Cl
InChIInChI=1S/C21H23ClN4O/c1-14-6-7-18(11-20(14)22)26-16(3)19(15(2)25-26)12-21(27)24-10-8-17-5-4-9-23-13-17/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,24,27)
InChIKeyPRLRAWZPEJEGBA-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
CID 55765985
N-[2-[[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
CID 55765954
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 39033208
3-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 119177582
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 39040922
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 55792337
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]acetamide
CID 55955069
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
CID 94563213
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 55793924
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9269421
N-(2-anilino-2-oxoethyl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55958417
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide (CID 55823265) is 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide is Cc1ccc(-n2nc(C)c(CC(=O)NCCc3cccnc3)c2C)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide?
The InChIKey is PRLRAWZPEJEGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-14-6-7-18(11-20(14)22)26-16(3)19(15(2)25-26)12-21(27)24-10-8-17-5-4-9-23-13-17/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,24,27).
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide?
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide has a molecular weight of 382.90 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 55823265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).