4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole

C11H17F3N2O — CID 167258922

IUPAC4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole
SMILESCCc1cn(C(C)C(F)(F)F)nc1OC(C)C
InChIInChI=1S/C11H17F3N2O/c1-5-9-6-16(8(4)11(12,13)14)15-10(9)17-7(2)3/h6-8H,5H2,1-4H3
InChIKeyFWFSUIUJMCEOPU-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.36
Rot. Bonds4

About 4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole

4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole (PubChem CID 167258922) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole.

Molecular Properties

Compound Name4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole
PubChem CID167258922
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole
SMILESCCc1cn(C(C)C(F)(F)F)nc1OC(C)C
InChIInChI=1S/C11H17F3N2O/c1-5-9-6-16(8(4)11(12,13)14)15-10(9)17-7(2)3/h6-8H,5H2,1-4H3
InChIKeyFWFSUIUJMCEOPU-UHFFFAOYSA-N
XLogP3.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Difluoromethoxy)-4-ethyl-1-methylpyrazole
CID 53720359
4-(1-Bromoethyl)-1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole
CID 68942182
4-(Difluoromethyl)-5-ethoxy-1-methylpyrazole
CID 118271004
3-(Difluoromethoxy)-1-ethyl-4-(2-methylpropyl)pyrazole
CID 118345077
3-(Difluoromethoxy)-1,4-diethylpyrazole
CID 122546068
2-[1-(Difluoromethyl)-4-propan-2-ylpyrazol-3-yl]oxyethanol
CID 134450743
Tert-butyl 4-ethyl-3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazole-1-carboxylate
CID 134599465
3-tert-butyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 146611004
1-(2,2-Difluoroethyl)-4-[1,4-di(propan-2-yl)pyrazol-3-yl]oxypiperidine
CID 153499379
1-(2,2-Difluoroethyl)-3-(2-methoxyethoxy)-4-methylpyrazole
CID 166770799
1-(2,2-Difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole
CID 166770809
4-[3-Propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]butanal
CID 167258921

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole?
The IUPAC name of 4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole (CID 167258922) is 4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole.
What is the SMILES notation for 4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole?
The canonical SMILES for 4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole is CCc1cn(C(C)C(F)(F)F)nc1OC(C)C.
What is the InChIKey of 4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole?
The InChIKey is FWFSUIUJMCEOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-5-9-6-16(8(4)11(12,13)14)15-10(9)17-7(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole?
4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole has a molecular weight of 250.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-propan-2-yloxy-1-(1,1,1-trifluoropropan-2-yl)pyrazole is sourced from PubChem (CID 167258922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).