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

C14H12F2N2OS — CID 18175522

IUPAC5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESFC(F)Oc1ccc(C2CC(c3cccs3)=NN2)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/h1-7,11,14,17H,8H2
InChIKeyFISSFKDVCMQRER-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.79
Rot. Bonds4

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

5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole (PubChem CID 18175522) has the molecular formula C14H12F2N2OS and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
PubChem CID18175522
Molecular FormulaC14H12F2N2OS
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
SMILESFC(F)Oc1ccc(C2CC(c3cccs3)=NN2)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/h1-7,11,14,17H,8H2
InChIKeyFISSFKDVCMQRER-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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Related Compounds

3-(4-methoxyphenyl)-1-(methylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 3153491
5-(4-methoxyphenyl)-1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 5170190
4-Fluoro-2-(5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3767717
4-(5-Thiophen-2-yl-4,5-dihydro-1h-pyrazol-3-yl)-phenol
CID 4738378
3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175444
3-thiophen-2-yl-5-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole
CID 18175482
3-thiophen-2-yl-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole
CID 18175512
5-thiophen-2-yl-3-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-pyrazole
CID 18175545
5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyrazole
CID 18175570
3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175618
5-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175679
(3-Fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine
CID 43474185

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole (CID 18175522) is 5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole is FC(F)Oc1ccc(C2CC(c3cccs3)=NN2)cc1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
The InChIKey is FISSFKDVCMQRER-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/h1-7,11,14,17H,8H2.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole?
5-[4-(difluoromethoxy)phenyl]-3-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 5-[4-(difluoromethoxy)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 18175522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).