3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide

C14H15ClFN3O — CID 91277449

IUPAC3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide
SMILESCc1cnn(C)c1C(Cc1ccc(F)cc1Cl)C(N)=O
InChIInChI=1S/C14H15ClFN3O/c1-8-7-18-19(2)13(8)11(14(17)20)5-9-3-4-10(16)6-12(9)15/h3-4,6-7,11H,5H2,1-2H3,(H2,17,20)
InChIKeyWZNGVWSAHZBAFH-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.33
Rot. Bonds4

About 3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide

3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide (PubChem CID 91277449) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide
PubChem CID91277449
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide
SMILESCc1cnn(C)c1C(Cc1ccc(F)cc1Cl)C(N)=O
InChIInChI=1S/C14H15ClFN3O/c1-8-7-18-19(2)13(8)11(14(17)20)5-9-3-4-10(16)6-12(9)15/h3-4,6-7,11H,5H2,1-2H3,(H2,17,20)
InChIKeyWZNGVWSAHZBAFH-UHFFFAOYSA-N
XLogP2.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 114650403
3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide
CID 90980328
2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 112742305
2-(2-chloro-4-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylethanamine
CID 114650423
2-(2-chloro-4-fluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 63960769
(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol
CID 114635377
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-[1-(1-benzylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-3-(2-chloro-4-fluorophenyl)propanamide
CID 91183456
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
[2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105216120

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide (CID 91277449) is 3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide is Cc1cnn(C)c1C(Cc1ccc(F)cc1Cl)C(N)=O.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide?
The InChIKey is WZNGVWSAHZBAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-8-7-18-19(2)13(8)11(14(17)20)5-9-3-4-10(16)6-12(9)15/h3-4,6-7,11H,5H2,1-2H3,(H2,17,20).
What are the key properties of 3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide?
3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide has a molecular weight of 295.75 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide is sourced from PubChem (CID 91277449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).