2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide

C14H15F2N3O — CID 155909781

IUPAC2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1c(NC(=O)Cc2cc(F)cc(F)c2)n[nH]c1C
InChIInChI=1S/C14H15F2N3O/c1-3-12-8(2)18-19-14(12)17-13(20)6-9-4-10(15)7-11(16)5-9/h4-5,7H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyIWQPSZWDNYONGH-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.74
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide

2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 155909781) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID155909781
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCc1c(NC(=O)Cc2cc(F)cc(F)c2)n[nH]c1C
InChIInChI=1S/C14H15F2N3O/c1-3-12-8(2)18-19-14(12)17-13(20)6-9-4-10(15)7-11(16)5-9/h4-5,7H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyIWQPSZWDNYONGH-UHFFFAOYSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide (CID 155909781) is 2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide is CCc1c(NC(=O)Cc2cc(F)cc(F)c2)n[nH]c1C.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is IWQPSZWDNYONGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-12-8(2)18-19-14(12)17-13(20)6-9-4-10(15)7-11(16)5-9/h4-5,7H,3,6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide?
2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 279.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-(4-ethyl-5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 155909781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).