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

C23H25N5O2 — CID 89465846

IUPAC(4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3C)nn2-c2ccccc2)c1
InChIInChI=1S/C23H25N5O2/c1-3-8-16-9-7-10-17(13-16)19-14-21(26-28(19)18-11-5-4-6-12-18)25-22(29)20-15-24-23(30)27(20)2/h4-7,9-14,20H,3,8,15H2,1-2H3,(H,24,30)(H,25,26,29)/t20-/m1/s1
InChIKeySETYWVKQSVZMDL-HXUWFJFHSA-N
MW403.49 g/mol
LogP3.45
Rot. Bonds6

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

(4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide (PubChem CID 89465846) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide
PubChem CID89465846
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3C)nn2-c2ccccc2)c1
InChIInChI=1S/C23H25N5O2/c1-3-8-16-9-7-10-17(13-16)19-14-21(26-28(19)18-11-5-4-6-12-18)25-22(29)20-15-24-23(30)27(20)2/h4-7,9-14,20H,3,8,15H2,1-2H3,(H,24,30)(H,25,26,29)/t20-/m1/s1
InChIKeySETYWVKQSVZMDL-HXUWFJFHSA-N
XLogP3.45
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide?
The IUPAC name of (4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide (CID 89465846) is (4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3C)nn2-c2ccccc2)c1.
What is the InChIKey of (4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide?
The InChIKey is SETYWVKQSVZMDL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-3-8-16-9-7-10-17(13-16)19-14-21(26-28(19)18-11-5-4-6-12-18)25-22(29)20-15-24-23(30)27(20)2/h4-7,9-14,20H,3,8,15H2,1-2H3,(H,24,30)(H,25,26,29)/t20-/m1/s1.
What are the key properties of (4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide?
(4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-2-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 89465846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).