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

C16H14F2N4O — CID 174986772

IUPAC5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole
SMILESFC(F)Oc1ccc(C2CC2)cc1-c1[nH]ncc1-n1cccn1
InChIInChI=1S/C16H14F2N4O/c17-16(18)23-14-5-4-11(10-2-3-10)8-12(14)15-13(9-19-21-15)22-7-1-6-20-22/h1,4-10,16H,2-3H2,(H,19,21)
InChIKeyYIMGGFNAZUKVRY-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.74
Rot. Bonds5

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

5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole (PubChem CID 174986772) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole.

Molecular Properties

Compound Name5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole
PubChem CID174986772
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole
SMILESFC(F)Oc1ccc(C2CC2)cc1-c1[nH]ncc1-n1cccn1
InChIInChI=1S/C16H14F2N4O/c17-16(18)23-14-5-4-11(10-2-3-10)8-12(14)15-13(9-19-21-15)22-7-1-6-20-22/h1,4-10,16H,2-3H2,(H,19,21)
InChIKeyYIMGGFNAZUKVRY-UHFFFAOYSA-N
XLogP3.74
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole?
The IUPAC name of 5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole (CID 174986772) is 5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole.
What is the SMILES notation for 5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole?
The canonical SMILES for 5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole is FC(F)Oc1ccc(C2CC2)cc1-c1[nH]ncc1-n1cccn1.
What is the InChIKey of 5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole?
The InChIKey is YIMGGFNAZUKVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c17-16(18)23-14-5-4-11(10-2-3-10)8-12(14)15-13(9-19-21-15)22-7-1-6-20-22/h1,4-10,16H,2-3H2,(H,19,21).
What are the key properties of 5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole?
5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole has a molecular weight of 316.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-cyclopropyl-2-(difluoromethoxy)phenyl]-4-pyrazol-1-yl-1H-pyrazole is sourced from PubChem (CID 174986772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).