3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

C14H12F2N2OS — CID 18175618

IUPAC3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESFC(F)Oc1ccc(C2=NNC(c3cccs3)C2)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/h1-7,12,14,18H,8H2
InChIKeyAQSCURKRNFPMOS-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.79
Rot. Bonds4

About 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole

3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 18175618) 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-1H-pyrazole.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID18175618
Molecular FormulaC14H12F2N2OS
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Name3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESFC(F)Oc1ccc(C2=NNC(c3cccs3)C2)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/h1-7,12,14,18H,8H2
InChIKeyAQSCURKRNFPMOS-UHFFFAOYSA-N
XLogP3.79
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
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-1H-pyrazole?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole (CID 18175618) is 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole is FC(F)Oc1ccc(C2=NNC(c3cccs3)C2)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is AQSCURKRNFPMOS-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/h1-7,12,14,18H,8H2.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole has a molecular weight of 294.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 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-1H-pyrazole is sourced from PubChem (CID 18175618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).