N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide

C21H19F2N3O3S — CID 146148119

IUPACN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1S(=O)(=O)C(F)F)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C21H19F2N3O3S/c22-21(23)30(28,29)18-9-5-4-6-15(18)12-20(27)24-19-13-17(14-10-11-14)25-26(19)16-7-2-1-3-8-16/h1-9,13-14,21H,10-12H2,(H,24,27)
InChIKeyYCGYVPCPIGCSNR-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.93
Rot. Bonds7

About N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide (PubChem CID 146148119) has the molecular formula C21H19F2N3O3S and a molecular weight of 431.46 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide
PubChem CID146148119
Molecular FormulaC21H19F2N3O3S
Molecular Weight431.46 g/mol
Exact Mass431.11
IUPAC NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1S(=O)(=O)C(F)F)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C21H19F2N3O3S/c22-21(23)30(28,29)18-9-5-4-6-15(18)12-20(27)24-19-13-17(14-10-11-14)25-26(19)16-7-2-1-3-8-16/h1-9,13-14,21H,10-12H2,(H,24,27)
InChIKeyYCGYVPCPIGCSNR-UHFFFAOYSA-N
XLogP3.93
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
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CID 119684822
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-propan-2-yloxypropanamide
CID 112819311
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55551550
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 111543790
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CID 71943773
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CID 122074917
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 37206869
4-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-methoxybutanamide
CID 120586999
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 110906782
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 55553271

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide (CID 146148119) is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The canonical SMILES for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide is O=C(Cc1ccccc1S(=O)(=O)C(F)F)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The InChIKey is YCGYVPCPIGCSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S/c22-21(23)30(28,29)18-9-5-4-6-15(18)12-20(27)24-19-13-17(14-10-11-14)25-26(19)16-7-2-1-3-8-16/h1-9,13-14,21H,10-12H2,(H,24,27).
What are the key properties of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide?
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide has a molecular weight of 431.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 146148119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).