[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone

C10H10F4N4O2 — CID 4147031

IUPAC[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2N=C(C(F)F)CC2(O)C(F)F)n1
InChIInChI=1S/C10H10F4N4O2/c1-17-3-2-5(15-17)8(19)18-10(20,9(13)14)4-6(16-18)7(11)12/h2-3,7,9,20H,4H2,1H3
InChIKeyPXVPFIDHSHKZGA-UHFFFAOYSA-N
MW294.21 g/mol
LogP0.84
Rot. Bonds3

About [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone

[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 4147031) has the molecular formula C10H10F4N4O2 and a molecular weight of 294.21 g/mol. Its IUPAC name is [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID4147031
Molecular FormulaC10H10F4N4O2
Molecular Weight294.21 g/mol
Exact Mass294.07
IUPAC Name[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2N=C(C(F)F)CC2(O)C(F)F)n1
InChIInChI=1S/C10H10F4N4O2/c1-17-3-2-5(15-17)8(19)18-10(20,9(13)14)4-6(16-18)7(11)12/h2-3,7,9,20H,4H2,1H3
InChIKeyPXVPFIDHSHKZGA-UHFFFAOYSA-N
XLogP0.84
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3453921
(4-bromo-2-methylpyrazol-3-yl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 4071115
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-bromo-2-methylpyrazol-3-yl)methanone
CID 4103503
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
CID 4765832
1-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3604137
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(1-methyl-4-nitropyrazol-3-yl)methanone
CID 3266685
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 5140192
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-bromo-1-methylpyrazol-3-yl)methanone
CID 5195007
1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 3659554
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 4534181
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-iodo-1-methyl-1H-pyrazol-3-yl)methanone
CID 5106945
Pyrazole, 1-methyl-5-(1-pyrazolylcarbonyl)-
CID 573254

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 4147031) is [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2N=C(C(F)F)CC2(O)C(F)F)n1.
What is the InChIKey of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is PXVPFIDHSHKZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N4O2/c1-17-3-2-5(15-17)8(19)18-10(20,9(13)14)4-6(16-18)7(11)12/h2-3,7,9,20H,4H2,1H3.
What are the key properties of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone?
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 294.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 4147031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).