2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide

C21H17F6N5O3S — CID 161338264

IUPAC2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide
SMILESCc1c(OC(F)(F)C(F)C(F)(F)F)nn(C)c1-c1cc(-c2cc(C(=O)N(C)C3CC3)c(C#N)s2)on1
InChIInChI=1S/C21H17F6N5O3S/c1-9-16(32(3)29-17(9)34-21(26,27)19(22)20(23,24)25)12-7-13(35-30-12)14-6-11(15(8-28)36-14)18(33)31(2)10-4-5-10/h6-7,10,19H,4-5H2,1-3H3
InChIKeyVMIDXJPJPMIZKK-UHFFFAOYSA-N
MW533.45 g/mol
LogP5.09
Rot. Bonds7

About 2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide

2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide (PubChem CID 161338264) has the molecular formula C21H17F6N5O3S and a molecular weight of 533.45 g/mol. Its IUPAC name is 2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide
PubChem CID161338264
Molecular FormulaC21H17F6N5O3S
Molecular Weight533.45 g/mol
Exact Mass533.10
IUPAC Name2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide
SMILESCc1c(OC(F)(F)C(F)C(F)(F)F)nn(C)c1-c1cc(-c2cc(C(=O)N(C)C3CC3)c(C#N)s2)on1
InChIInChI=1S/C21H17F6N5O3S/c1-9-16(32(3)29-17(9)34-21(26,27)19(22)20(23,24)25)12-7-13(35-30-12)14-6-11(15(8-28)36-14)18(33)31(2)10-4-5-10/h6-7,10,19H,4-5H2,1-3H3
InChIKeyVMIDXJPJPMIZKK-UHFFFAOYSA-N
XLogP5.09
TPSA97.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide with MolForge

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Related Compounds

2-cyano-N-cyclopropyl-N-ethyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide
CID 142448859
2-cyano-N-cyclopropyl-N-methyl-5-[5-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide
CID 142448813
[5-[5-[4-chloro-3-[cyclopropyl(methyl)carbamoyl]phenyl]-1,2-oxazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrazol-3-yl] 1,1,1,2,3,3,3-heptafluoropropane-2-sulfonate
CID 142500960
2-cyano-N-cyclopropyl-5-[1-[1,4-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]triazol-4-yl]-N-methylthiophene-3-carboxamide
CID 153004816
2-chloro-N-(1-cyanocyclopropyl)-5-[3-[1,4-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-ethylthiophene-3-carboxamide
CID 160678047
3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazole-5-carbonitrile
CID 161477900
5-fluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazole
CID 142448860
N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide
CID 129306071
2-chloro-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]-N-propan-2-ylbenzamide
CID 126498287
2-chloro-N-cyclopropyl-5-[3-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]benzamide
CID 126498372
2-chloro-N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129283611
1-[2-chloro-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]phenyl]-2-cyclopropylethanone
CID 158228777

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide (CID 161338264) is 2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide is Cc1c(OC(F)(F)C(F)C(F)(F)F)nn(C)c1-c1cc(-c2cc(C(=O)N(C)C3CC3)c(C#N)s2)on1.
What is the InChIKey of 2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide?
The InChIKey is VMIDXJPJPMIZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F6N5O3S/c1-9-16(32(3)29-17(9)34-21(26,27)19(22)20(23,24)25)12-7-13(35-30-12)14-6-11(15(8-28)36-14)18(33)31(2)10-4-5-10/h6-7,10,19H,4-5H2,1-3H3.
What are the key properties of 2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide?
2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide has a molecular weight of 533.45 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopropyl-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1,4-dimethylpyrazol-5-yl]-1,2-oxazol-5-yl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 161338264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).