(4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide

C20H16F3N5O3 — CID 89476571

IUPAC(4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESO=C1NC[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)N1
InChIInChI=1S/C20H16F3N5O3/c21-20(22,23)31-14-8-4-5-12(9-14)16-10-17(26-18(29)15-11-24-19(30)25-15)27-28(16)13-6-2-1-3-7-13/h1-10,15H,11H2,(H2,24,25,30)(H,26,27,29)/t15-/m1/s1
InChIKeyJPSGQRYLIYYUJR-OAHLLOKOSA-N
MW431.37 g/mol
LogP3.06
Rot. Bonds5

About (4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide

(4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide (PubChem CID 89476571) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is (4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
PubChem CID89476571
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC Name(4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESO=C1NC[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)N1
InChIInChI=1S/C20H16F3N5O3/c21-20(22,23)31-14-8-4-5-12(9-14)16-10-17(26-18(29)15-11-24-19(30)25-15)27-28(16)13-6-2-1-3-7-13/h1-10,15H,11H2,(H2,24,25,30)(H,26,27,29)/t15-/m1/s1
InChIKeyJPSGQRYLIYYUJR-OAHLLOKOSA-N
XLogP3.06
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide (CID 89476571) is (4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide is O=C1NC[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)N1.
What is the InChIKey of (4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
The InChIKey is JPSGQRYLIYYUJR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c21-20(22,23)31-14-8-4-5-12(9-14)16-10-17(26-18(29)15-11-24-19(30)25-15)27-28(16)13-6-2-1-3-7-13/h1-10,15H,11H2,(H2,24,25,30)(H,26,27,29)/t15-/m1/s1.
What are the key properties of (4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide?
(4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide has a molecular weight of 431.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 89476571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).