2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one

C14H14F6N4O2 — CID 19585429

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one
SMILESCC(C(=O)N1N=CCC1(O)C(F)(F)F)n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C14H14F6N4O2/c1-7(11(25)24-12(26,4-5-21-24)14(18,19)20)23-9(8-2-3-8)6-10(22-23)13(15,16)17/h5-8,26H,2-4H2,1H3
InChIKeyYBTXKHPJACKOSE-UHFFFAOYSA-N
MW384.28 g/mol
LogP2.81
Rot. Bonds3

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one (PubChem CID 19585429) has the molecular formula C14H14F6N4O2 and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one
PubChem CID19585429
Molecular FormulaC14H14F6N4O2
Molecular Weight384.28 g/mol
Exact Mass384.10
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one
SMILESCC(C(=O)N1N=CCC1(O)C(F)(F)F)n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C14H14F6N4O2/c1-7(11(25)24-12(26,4-5-21-24)14(18,19)20)23-9(8-2-3-8)6-10(22-23)13(15,16)17/h5-8,26H,2-4H2,1H3
InChIKeyYBTXKHPJACKOSE-UHFFFAOYSA-N
XLogP2.81
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
CID 892173
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 4076937
2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 891733
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
CID 17023648
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 4116900
2-(3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 4765804
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 4766168
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 4766174
2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoic acid
CID 6485415
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 3437189
2-[5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-isopropylacetamide
CID 4119687
5-cyclopropyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 4765425

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one (CID 19585429) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one is CC(C(=O)N1N=CCC1(O)C(F)(F)F)n1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one?
The InChIKey is YBTXKHPJACKOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6N4O2/c1-7(11(25)24-12(26,4-5-21-24)14(18,19)20)23-9(8-2-3-8)6-10(22-23)13(15,16)17/h5-8,26H,2-4H2,1H3.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one has a molecular weight of 384.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]propan-1-one is sourced from PubChem (CID 19585429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).