5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide

C11H11F5N4O3 — CID 167915834

IUPAC5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CN(C(=O)COC(F)(F)F)C1)c1cn[nH]c1C(F)F
InChIInChI=1S/C11H11F5N4O3/c12-9(13)8-6(1-17-19-8)10(22)18-5-2-20(3-5)7(21)4-23-11(14,15)16/h1,5,9H,2-4H2,(H,17,19)(H,18,22)
InChIKeyHKCQDAHQDJYMAU-UHFFFAOYSA-N
MW342.22 g/mol
LogP0.82
Rot. Bonds5

About 5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide

5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 167915834) has the molecular formula C11H11F5N4O3 and a molecular weight of 342.22 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID167915834
Molecular FormulaC11H11F5N4O3
Molecular Weight342.22 g/mol
Exact Mass342.08
IUPAC Name5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CN(C(=O)COC(F)(F)F)C1)c1cn[nH]c1C(F)F
InChIInChI=1S/C11H11F5N4O3/c12-9(13)8-6(1-17-19-8)10(22)18-5-2-20(3-5)7(21)4-23-11(14,15)16/h1,5,9H,2-4H2,(H,17,19)(H,18,22)
InChIKeyHKCQDAHQDJYMAU-UHFFFAOYSA-N
XLogP0.82
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 167880495
5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 144770900
5-methyl-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
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5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-carboxamide
CID 106295277
5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
CID 150931172
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71918106
N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066371
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 102555552
5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 166391653
N-[(3S)-1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
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5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide (CID 167915834) is 5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide is O=C(NC1CN(C(=O)COC(F)(F)F)C1)c1cn[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is HKCQDAHQDJYMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N4O3/c12-9(13)8-6(1-17-19-8)10(22)18-5-2-20(3-5)7(21)4-23-11(14,15)16/h1,5,9H,2-4H2,(H,17,19)(H,18,22).
What are the key properties of 5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide?
5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 342.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167915834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).