3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole

C14H12F2N2OS — CID 54044401

IUPAC3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole
SMILESFC(F)Oc1ccc(C2CC(c3cccs3)N=N2)cc1
InChIInChI=1S/C14H12F2N2OS/c15-14(16)19-10-5-3-9(4-6-10)11-8-12(18-17-11)13-2-1-7-20-13/h1-7,11-12,14H,8H2
InChIKeyLONVFSVABIINTN-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.99
Rot. Bonds4

About 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole

3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole (PubChem CID 54044401) has the molecular formula C14H12F2N2OS and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole
PubChem CID54044401
Molecular FormulaC14H12F2N2OS
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Name3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole
SMILESFC(F)Oc1ccc(C2CC(c3cccs3)N=N2)cc1
InChIInChI=1S/C14H12F2N2OS/c15-14(16)19-10-5-3-9(4-6-10)11-8-12(18-17-11)13-2-1-7-20-13/h1-7,11-12,14H,8H2
InChIKeyLONVFSVABIINTN-UHFFFAOYSA-N
XLogP4.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole (CID 54044401) is 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole is FC(F)Oc1ccc(C2CC(c3cccs3)N=N2)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
The InChIKey is LONVFSVABIINTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2OS/c15-14(16)19-10-5-3-9(4-6-10)11-8-12(18-17-11)13-2-1-7-20-13/h1-7,11-12,14H,8H2.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole?
3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole has a molecular weight of 294.33 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-3H-pyrazole is sourced from PubChem (CID 54044401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).