N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide

C17H23ClN4O — CID 131944002

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCCc1c(C)nn(CC(=O)Nc2cc(Cl)ccc2N(C)C)c1C
InChIInChI=1S/C17H23ClN4O/c1-6-14-11(2)20-22(12(14)3)10-17(23)19-15-9-13(18)7-8-16(15)21(4)5/h7-9H,6,10H2,1-5H3,(H,19,23)
InChIKeyBLLZSJOXHAAXTE-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.42
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 131944002) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID131944002
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCCc1c(C)nn(CC(=O)Nc2cc(Cl)ccc2N(C)C)c1C
InChIInChI=1S/C17H23ClN4O/c1-6-14-11(2)20-22(12(14)3)10-17(23)19-15-9-13(18)7-8-16(15)21(4)5/h7-9H,6,10H2,1-5H3,(H,19,23)
InChIKeyBLLZSJOXHAAXTE-UHFFFAOYSA-N
XLogP3.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131890592
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 55924095
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914827
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 43647566
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 19525429
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)phenyl]acetamide
CID 106759281
N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 131923297
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 43647452
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
CID 55353426
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide (CID 131944002) is N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide is CCc1c(C)nn(CC(=O)Nc2cc(Cl)ccc2N(C)C)c1C.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is BLLZSJOXHAAXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-6-14-11(2)20-22(12(14)3)10-17(23)19-15-9-13(18)7-8-16(15)21(4)5/h7-9H,6,10H2,1-5H3,(H,19,23).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 334.85 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 131944002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).