2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide

C13H14F2N4O — CID 62604621

IUPAC2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
SMILESNc1ccn(CC(=O)NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H14F2N4O/c14-10-5-9(6-11(15)7-10)1-3-17-13(20)8-19-4-2-12(16)18-19/h2,4-7H,1,3,8H2,(H2,16,18)(H,17,20)
InChIKeyUOORLNJMWQSBLX-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.10
Rot. Bonds5

About 2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide (PubChem CID 62604621) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
PubChem CID62604621
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
SMILESNc1ccn(CC(=O)NCCc2cc(F)cc(F)c2)n1
InChIInChI=1S/C13H14F2N4O/c14-10-5-9(6-11(15)7-10)1-3-17-13(20)8-19-4-2-12(16)18-19/h2,4-7H,1,3,8H2,(H2,16,18)(H,17,20)
InChIKeyUOORLNJMWQSBLX-UHFFFAOYSA-N
XLogP1.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-(3-aminopyrazol-1-yl)acetamide
CID 62101709
N-[2-(3,5-difluorophenyl)ethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 122133875
2-(3-aminopyrazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64518365
2-(3-aminopyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63824758
2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 55035632
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 62810670
2-(3-aminopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 62102363
2-(3-aminopyrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64519510
2-(3-aminopyrazol-1-yl)-N-(3-phenylbutyl)acetamide
CID 62986610
2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 62102678
2-(3-aminopyrazol-1-yl)-N-piperidin-1-ylacetamide
CID 83013427

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide (CID 62604621) is 2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide is Nc1ccn(CC(=O)NCCc2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide?
The InChIKey is UOORLNJMWQSBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c14-10-5-9(6-11(15)7-10)1-3-17-13(20)8-19-4-2-12(16)18-19/h2,4-7H,1,3,8H2,(H2,16,18)(H,17,20).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide has a molecular weight of 280.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 62604621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).