2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole

C18H17F4N3O — CID 141307764

IUPAC2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole
SMILESCC1=CC(C)N(c2ccc(-n3nc(C(F)(F)F)cc3C3CC3)c(F)c2)O1
InChIInChI=1S/C18H17F4N3O/c1-10-7-11(2)26-25(10)13-5-6-15(14(19)8-13)24-16(12-3-4-12)9-17(23-24)18(20,21)22/h5-10,12H,3-4H2,1-2H3
InChIKeyUIDPFZPNLYFWLS-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.95
Rot. Bonds3

About 2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole

2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole (PubChem CID 141307764) has the molecular formula C18H17F4N3O and a molecular weight of 367.35 g/mol. Its IUPAC name is 2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole
PubChem CID141307764
Molecular FormulaC18H17F4N3O
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Name2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole
SMILESCC1=CC(C)N(c2ccc(-n3nc(C(F)(F)F)cc3C3CC3)c(F)c2)O1
InChIInChI=1S/C18H17F4N3O/c1-10-7-11(2)26-25(10)13-5-6-15(14(19)8-13)24-16(12-3-4-12)9-17(23-24)18(20,21)22/h5-10,12H,3-4H2,1-2H3
InChIKeyUIDPFZPNLYFWLS-UHFFFAOYSA-N
XLogP4.95
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methyl-2H-1,3-oxazole
CID 141307719
4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylaniline
CID 134377497
4-[5-cyclohexyl-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide
CID 139967083
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 154467833
4-[5-cyclopentyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10133073
2-(2-chloro-6-fluorophenyl)-4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorobenzamide
CID 151528432
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
CID 19627794
1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline
CID 174976483
1-(2-fluoro-4-pyrrolidin-1-ylphenyl)-3,5-dimethylpyrazole
CID 168515049
2-chloro-N'-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanimidamide
CID 169368196
1-[(2S)-5-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-2-one
CID 25014668
tert-butyl 4-[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 118166974

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole?
The IUPAC name of 2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole (CID 141307764) is 2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole.
What is the SMILES notation for 2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole?
The canonical SMILES for 2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole is CC1=CC(C)N(c2ccc(-n3nc(C(F)(F)F)cc3C3CC3)c(F)c2)O1.
What is the InChIKey of 2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole?
The InChIKey is UIDPFZPNLYFWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O/c1-10-7-11(2)26-25(10)13-5-6-15(14(19)8-13)24-16(12-3-4-12)9-17(23-24)18(20,21)22/h5-10,12H,3-4H2,1-2H3.
What are the key properties of 2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole?
2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole has a molecular weight of 367.35 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-3,5-dimethyl-3H-1,2-oxazole is sourced from PubChem (CID 141307764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).