[5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate

C15H16F3N5O4 — CID 164879579

IUPAC[5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate
SMILESCC(=O)OC1COC(c2cc(NC(=O)c3cc(C(F)(F)F)nn3C)n[nH]2)C1
InChIInChI=1S/C15H16F3N5O4/c1-7(24)27-8-3-11(26-6-8)9-4-13(21-20-9)19-14(25)10-5-12(15(16,17)18)22-23(10)2/h4-5,8,11H,3,6H2,1-2H3,(H2,19,20,21,25)
InChIKeyUZUDVIWYQPVZPV-UHFFFAOYSA-N
MW387.32 g/mol
LogP1.81
Rot. Bonds4

About [5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate

[5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate (PubChem CID 164879579) has the molecular formula C15H16F3N5O4 and a molecular weight of 387.32 g/mol. Its IUPAC name is [5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate.

Molecular Properties

Compound Name[5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate
PubChem CID164879579
Molecular FormulaC15H16F3N5O4
Molecular Weight387.32 g/mol
Exact Mass387.12
IUPAC Name[5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate
SMILESCC(=O)OC1COC(c2cc(NC(=O)c3cc(C(F)(F)F)nn3C)n[nH]2)C1
InChIInChI=1S/C15H16F3N5O4/c1-7(24)27-8-3-11(26-6-8)9-4-13(21-20-9)19-14(25)10-5-12(15(16,17)18)22-23(10)2/h4-5,8,11H,3,6H2,1-2H3,(H2,19,20,21,25)
InChIKeyUZUDVIWYQPVZPV-UHFFFAOYSA-N
XLogP1.81
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate?
The IUPAC name of [5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate (CID 164879579) is [5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate.
What is the SMILES notation for [5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate?
The canonical SMILES for [5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate is CC(=O)OC1COC(c2cc(NC(=O)c3cc(C(F)(F)F)nn3C)n[nH]2)C1.
What is the InChIKey of [5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate?
The InChIKey is UZUDVIWYQPVZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O4/c1-7(24)27-8-3-11(26-6-8)9-4-13(21-20-9)19-14(25)10-5-12(15(16,17)18)22-23(10)2/h4-5,8,11H,3,6H2,1-2H3,(H2,19,20,21,25).
What are the key properties of [5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate?
[5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate has a molecular weight of 387.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] acetate is sourced from PubChem (CID 164879579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).