2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

C12H12F2N4OS — CID 62102362

IUPAC2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESNc1ccn(CC(=O)Nc2ccccc2SC(F)F)n1
InChIInChI=1S/C12H12F2N4OS/c13-12(14)20-9-4-2-1-3-8(9)16-11(19)7-18-6-5-10(15)17-18/h1-6,12H,7H2,(H2,15,17)(H,16,19)
InChIKeyAAXRCMPPWXSRET-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.42
Rot. Bonds5

About 2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 62102362) has the molecular formula C12H12F2N4OS and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID62102362
Molecular FormulaC12H12F2N4OS
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
SMILESNc1ccn(CC(=O)Nc2ccccc2SC(F)F)n1
InChIInChI=1S/C12H12F2N4OS/c13-12(14)20-9-4-2-1-3-8(9)16-11(19)7-18-6-5-10(15)17-18/h1-6,12H,7H2,(H2,15,17)(H,16,19)
InChIKeyAAXRCMPPWXSRET-UHFFFAOYSA-N
XLogP2.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 52896191
methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate
CID 62100724
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 134038906
N-[2-(difluoromethylsulfanyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8519875
N-[2-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 52896199
2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 62810670
N-[2-(difluoromethylsulfanyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78910823
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 120775661
2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 62102678
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 41405171
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24593241

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide (CID 62102362) is 2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is Nc1ccn(CC(=O)Nc2ccccc2SC(F)F)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is AAXRCMPPWXSRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4OS/c13-12(14)20-9-4-2-1-3-8(9)16-11(19)7-18-6-5-10(15)17-18/h1-6,12H,7H2,(H2,15,17)(H,16,19).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 298.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[2-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 62102362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).