N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide

C19H17F2N3O — CID 42687612

IUPACN-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H17F2N3O/c1-2-16-19(18(24-23-16)13-5-9-15(21)10-6-13)22-17(25)11-12-3-7-14(20)8-4-12/h3-10H,2,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyTYHBQHTWRLIPHS-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.10
Rot. Bonds5

About N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide

N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 42687612) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
PubChem CID42687612
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H17F2N3O/c1-2-16-19(18(24-23-16)13-5-9-15(21)10-6-13)22-17(25)11-12-3-7-14(20)8-4-12/h3-10H,2,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyTYHBQHTWRLIPHS-UHFFFAOYSA-N
XLogP4.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide (CID 42687612) is N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide is CCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is TYHBQHTWRLIPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-2-16-19(18(24-23-16)13-5-9-15(21)10-6-13)22-17(25)11-12-3-7-14(20)8-4-12/h3-10H,2,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide?
N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 341.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 42687612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).