2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide

C18H20ClN5O — CID 119061136

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NC(Cn2ccnc2)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C18H20ClN5O/c1-13-18(19)14(2)24(22-13)11-17(25)21-16(10-23-9-8-20-12-23)15-6-4-3-5-7-15/h3-9,12,16H,10-11H2,1-2H3,(H,21,25)
InChIKeyFKGUNIVROZSRLD-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.91
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide (PubChem CID 119061136) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
PubChem CID119061136
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NC(Cn2ccnc2)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C18H20ClN5O/c1-13-18(19)14(2)24(22-13)11-17(25)21-16(10-23-9-8-20-12-23)15-6-4-3-5-7-15/h3-9,12,16H,10-11H2,1-2H3,(H,21,25)
InChIKeyFKGUNIVROZSRLD-UHFFFAOYSA-N
XLogP2.91
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
CID 124845301
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 99958729
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 77097472
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 99946597
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-phenylpropyl)acetamide
CID 19525500
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 125168181
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70739178

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide (CID 119061136) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide is Cc1nn(CC(=O)NC(Cn2ccnc2)c2ccccc2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide?
The InChIKey is FKGUNIVROZSRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-13-18(19)14(2)24(22-13)11-17(25)21-16(10-23-9-8-20-12-23)15-6-4-3-5-7-15/h3-9,12,16H,10-11H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide has a molecular weight of 357.85 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide is sourced from PubChem (CID 119061136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).