5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole

C14H10F4N4O2 — CID 175714814

IUPAC5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole
SMILESFC(F)Oc1ccc(OC(F)F)c(-c2[nH]ncc2-c2ccn[nH]2)c1
InChIInChI=1S/C14H10F4N4O2/c15-13(16)23-7-1-2-11(24-14(17)18)8(5-7)12-9(6-20-22-12)10-3-4-19-21-10/h1-6,13-14H,(H,19,21)(H,20,22)
InChIKeyINUIZLABGFEDLY-UHFFFAOYSA-N
MW342.25 g/mol
LogP3.67
Rot. Bonds6

About 5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole

5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole (PubChem CID 175714814) has the molecular formula C14H10F4N4O2 and a molecular weight of 342.25 g/mol. Its IUPAC name is 5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole
PubChem CID175714814
Molecular FormulaC14H10F4N4O2
Molecular Weight342.25 g/mol
Exact Mass342.07
IUPAC Name5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole
SMILESFC(F)Oc1ccc(OC(F)F)c(-c2[nH]ncc2-c2ccn[nH]2)c1
InChIInChI=1S/C14H10F4N4O2/c15-13(16)23-7-1-2-11(24-14(17)18)8(5-7)12-9(6-20-22-12)10-3-4-19-21-10/h1-6,13-14H,(H,19,21)(H,20,22)
InChIKeyINUIZLABGFEDLY-UHFFFAOYSA-N
XLogP3.67
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-2-(1H-pyrazol-5-yl)pyridine
CID 146279888
5-[5-bromo-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole
CID 174988231
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 117322736
5-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-4-nitro-1H-pyrazole
CID 129164822
1,4-bis(difluoromethoxy)-2-methylbenzene
CID 71140593
N-[4-[2,5-bis(difluoromethoxy)phenyl]pyrimidin-2-yl]methanesulfonamide
CID 11773437
N-[5-[5-[2-(aminomethyl)phenoxy]-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164730024
N-[5-[2-(difluoromethoxy)-5-[4-(dimethylcarbamoyl)phenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135379230
N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79490434
N-[5-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide
CID 142427453
2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole?
The IUPAC name of 5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole (CID 175714814) is 5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole.
What is the SMILES notation for 5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole?
The canonical SMILES for 5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole is FC(F)Oc1ccc(OC(F)F)c(-c2[nH]ncc2-c2ccn[nH]2)c1.
What is the InChIKey of 5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole?
The InChIKey is INUIZLABGFEDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N4O2/c15-13(16)23-7-1-2-11(24-14(17)18)8(5-7)12-9(6-20-22-12)10-3-4-19-21-10/h1-6,13-14H,(H,19,21)(H,20,22).
What are the key properties of 5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole?
5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole has a molecular weight of 342.25 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-bis(difluoromethoxy)phenyl]-4-(1H-pyrazol-5-yl)-1H-pyrazole is sourced from PubChem (CID 175714814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).