N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide

C16H19F2N3O2 — CID 95615142

IUPACN-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide
SMILESCC[C@@H](C)n1nccc1NC(=O)Cc1cccc(OC(F)F)c1
InChIInChI=1S/C16H19F2N3O2/c1-3-11(2)21-14(7-8-19-21)20-15(22)10-12-5-4-6-13(9-12)23-16(17)18/h4-9,11,16H,3,10H2,1-2H3,(H,20,22)/t11-/m1/s1
InChIKeyFRLQNAQUUFUKRA-LLVKDONJSA-N
MW323.34 g/mol
LogP3.64
Rot. Bonds7

About N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide

N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide (PubChem CID 95615142) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide
PubChem CID95615142
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC NameN-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide
SMILESCC[C@@H](C)n1nccc1NC(=O)Cc1cccc(OC(F)F)c1
InChIInChI=1S/C16H19F2N3O2/c1-3-11(2)21-14(7-8-19-21)20-15(22)10-12-5-4-6-13(9-12)23-16(17)18/h4-9,11,16H,3,10H2,1-2H3,(H,20,22)/t11-/m1/s1
InChIKeyFRLQNAQUUFUKRA-LLVKDONJSA-N
XLogP3.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 78848125
2-[4-(difluoromethoxy)phenyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183967
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-chlorophenoxy)acetamide
CID 42387509
N-(2-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 30183310
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2H-indazol-3-yl)acetamide
CID 95189916
N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide
CID 110025212
2-bromo-N-(2-butan-2-ylpyrazol-3-yl)benzamide
CID 78778624
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097280
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide (CID 95615142) is N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide is CC[C@@H](C)n1nccc1NC(=O)Cc1cccc(OC(F)F)c1.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide?
The InChIKey is FRLQNAQUUFUKRA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-3-11(2)21-14(7-8-19-21)20-15(22)10-12-5-4-6-13(9-12)23-16(17)18/h4-9,11,16H,3,10H2,1-2H3,(H,20,22)/t11-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide?
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide has a molecular weight of 323.34 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[3-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 95615142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).