N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide

C17H21ClN4O2 — CID 19549421

IUPACN-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(NC(C)=O)cc1)n1nc(C)c(Cl)c1C
InChIInChI=1S/C17H21ClN4O2/c1-5-15(22-11(3)16(18)10(2)21-22)17(24)20-14-8-6-13(7-9-14)19-12(4)23/h6-9,15H,5H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyXVPCRHBENUCUGZ-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.70
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide

N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 19549421) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID19549421
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(NC(C)=O)cc1)n1nc(C)c(Cl)c1C
InChIInChI=1S/C17H21ClN4O2/c1-5-15(22-11(3)16(18)10(2)21-22)17(24)20-14-8-6-13(7-9-14)19-12(4)23/h6-9,15H,5H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyXVPCRHBENUCUGZ-UHFFFAOYSA-N
XLogP3.70
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)butanamide
CID 19549429
N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549570
ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoate
CID 17024876
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549560
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19549537
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide
CID 19549578
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]butanamide
CID 19549561
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549566
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 19549628
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 19549663
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19537805
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19537824

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide (CID 19549421) is N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide is CCC(C(=O)Nc1ccc(NC(C)=O)cc1)n1nc(C)c(Cl)c1C.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is XVPCRHBENUCUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-5-15(22-11(3)16(18)10(2)21-22)17(24)20-14-8-6-13(7-9-14)19-12(4)23/h6-9,15H,5H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 348.83 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 19549421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).