1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one

C19H12ClF4N5O2 — CID 71575736

IUPAC1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3ccnc(C(F)(F)F)c3)n2)CN1
InChIInChI=1S/C19H12ClF4N5O2/c20-11-3-10(4-12(21)5-11)15-7-14(18(31)28-8-17(30)26-9-28)27-29(15)13-1-2-25-16(6-13)19(22,23)24/h1-7H,8-9H2,(H,26,30)
InChIKeyZLPYITKEYYAWJH-UHFFFAOYSA-N
MW453.78 g/mol
LogP3.28
Rot. Bonds3

About 1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one

1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one (PubChem CID 71575736) has the molecular formula C19H12ClF4N5O2 and a molecular weight of 453.78 g/mol. Its IUPAC name is 1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one
PubChem CID71575736
Molecular FormulaC19H12ClF4N5O2
Molecular Weight453.78 g/mol
Exact Mass453.06
IUPAC Name1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3ccnc(C(F)(F)F)c3)n2)CN1
InChIInChI=1S/C19H12ClF4N5O2/c20-11-3-10(4-12(21)5-11)15-7-14(18(31)28-8-17(30)26-9-28)27-29(15)13-1-2-25-16(6-13)19(22,23)24/h1-7H,8-9H2,(H,26,30)
InChIKeyZLPYITKEYYAWJH-UHFFFAOYSA-N
XLogP3.28
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one?
The IUPAC name of 1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one (CID 71575736) is 1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one.
What is the SMILES notation for 1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one?
The canonical SMILES for 1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one is O=C1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3ccnc(C(F)(F)F)c3)n2)CN1.
What is the InChIKey of 1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one?
The InChIKey is ZLPYITKEYYAWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4N5O2/c20-11-3-10(4-12(21)5-11)15-7-14(18(31)28-8-17(30)26-9-28)27-29(15)13-1-2-25-16(6-13)19(22,23)24/h1-7H,8-9H2,(H,26,30).
What are the key properties of 1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one?
1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one has a molecular weight of 453.78 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-3-carbonyl]imidazolidin-4-one is sourced from PubChem (CID 71575736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).