N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide

C19H15F4N3O2 — CID 1486879

IUPACN-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H15F4N3O2/c1-11-16(17(27)24-14-8-6-13(20)7-9-14)18(26(2)25-11)28-15-5-3-4-12(10-15)19(21,22)23/h3-10H,1-2H3,(H,24,27)
InChIKeyJJHWYZFZDBZPKF-UHFFFAOYSA-N
MW393.34 g/mol
LogP4.93
Rot. Bonds4

About N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide

N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide (PubChem CID 1486879) has the molecular formula C19H15F4N3O2 and a molecular weight of 393.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide
PubChem CID1486879
Molecular FormulaC19H15F4N3O2
Molecular Weight393.34 g/mol
Exact Mass393.11
IUPAC NameN-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H15F4N3O2/c1-11-16(17(27)24-14-8-6-13(20)7-9-14)18(26(2)25-11)28-15-5-3-4-12(10-15)19(21,22)23/h3-10H,1-2H3,(H,24,27)
InChIKeyJJHWYZFZDBZPKF-UHFFFAOYSA-N
XLogP4.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide (CID 1486879) is N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide is Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide?
The InChIKey is JJHWYZFZDBZPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O2/c1-11-16(17(27)24-14-8-6-13(20)7-9-14)18(26(2)25-11)28-15-5-3-4-12(10-15)19(21,22)23/h3-10H,1-2H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide?
N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide has a molecular weight of 393.34 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carboxamide is sourced from PubChem (CID 1486879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).