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

C13H9ClF2N4O — CID 150642555

IUPAC5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole
SMILESFC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1-n1cccn1
InChIInChI=1S/C13H9ClF2N4O/c14-8-2-3-11(21-13(15)16)9(6-8)12-10(7-17-19-12)20-5-1-4-18-20/h1-7,13H,(H,17,19)
InChIKeyJAFJUVKCPDNGJF-UHFFFAOYSA-N
MW310.69 g/mol
LogP3.52
Rot. Bonds4

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

5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole (PubChem CID 150642555) has the molecular formula C13H9ClF2N4O and a molecular weight of 310.69 g/mol. Its IUPAC name is 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole.

Molecular Properties

Compound Name5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole
PubChem CID150642555
Molecular FormulaC13H9ClF2N4O
Molecular Weight310.69 g/mol
Exact Mass310.04
IUPAC Name5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole
SMILESFC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1-n1cccn1
InChIInChI=1S/C13H9ClF2N4O/c14-8-2-3-11(21-13(15)16)9(6-8)12-10(7-17-19-12)20-5-1-4-18-20/h1-7,13H,(H,17,19)
InChIKeyJAFJUVKCPDNGJF-UHFFFAOYSA-N
XLogP3.52
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole?
The IUPAC name of 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole (CID 150642555) is 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole.
What is the SMILES notation for 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole?
The canonical SMILES for 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole is FC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1-n1cccn1.
What is the InChIKey of 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole?
The InChIKey is JAFJUVKCPDNGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N4O/c14-8-2-3-11(21-13(15)16)9(6-8)12-10(7-17-19-12)20-5-1-4-18-20/h1-7,13H,(H,17,19).
What are the key properties of 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole?
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole has a molecular weight of 310.69 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole is sourced from PubChem (CID 150642555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).