2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole

C13H10ClF2N3OS — CID 175232056

IUPAC2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole
SMILESFC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1N1CC=CS1
InChIInChI=1S/C13H10ClF2N3OS/c14-8-2-3-11(20-13(15)16)9(6-8)12-10(7-17-18-12)19-4-1-5-21-19/h1-3,5-7,13H,4H2,(H,17,18)
InChIKeyUWIQWAOXRWFUGW-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.31
Rot. Bonds4

About 2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole

2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole (PubChem CID 175232056) has the molecular formula C13H10ClF2N3OS and a molecular weight of 329.76 g/mol. Its IUPAC name is 2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole.

Molecular Properties

Compound Name2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole
PubChem CID175232056
Molecular FormulaC13H10ClF2N3OS
Molecular Weight329.76 g/mol
Exact Mass329.02
IUPAC Name2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole
SMILESFC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1N1CC=CS1
InChIInChI=1S/C13H10ClF2N3OS/c14-8-2-3-11(20-13(15)16)9(6-8)12-10(7-17-18-12)19-4-1-5-21-19/h1-3,5-7,13H,4H2,(H,17,18)
InChIKeyUWIQWAOXRWFUGW-UHFFFAOYSA-N
XLogP4.31
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole
CID 118531698
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]formamide
CID 88849903
N-[3-(5-chloro-2-methoxyphenyl)-1-[(E)-3,3,3-trifluoroprop-1-enyl]pyrazol-4-yl]formamide
CID 88849908
1-(3-Aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine
CID 118522326
3-[5-Chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine
CID 118522788
5-(5-chloro-2-difluoromethoxyphenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazol-4-ylamine
CID 123143092
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitro-1H-pyrazole
CID 130358991
1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
CID 141405392
3-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-(2H-pyrazolo[1,5-a]pyrimidin-1-yl)pyrazol-1-yl]propanimidamide
CID 141766069
[4-Amino-5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl] thiohypofluorite
CID 144962737
5-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-amine
CID 146201463

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole?
The IUPAC name of 2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole (CID 175232056) is 2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole.
What is the SMILES notation for 2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole?
The canonical SMILES for 2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole is FC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1N1CC=CS1.
What is the InChIKey of 2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole?
The InChIKey is UWIQWAOXRWFUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3OS/c14-8-2-3-11(20-13(15)16)9(6-8)12-10(7-17-18-12)19-4-1-5-21-19/h1-3,5-7,13H,4H2,(H,17,18).
What are the key properties of 2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole?
2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole has a molecular weight of 329.76 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-3H-1,2-thiazole is sourced from PubChem (CID 175232056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).