1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide

C16H14ClF4N5O2 — CID 162509846

IUPAC1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESNC(=O)C1CN([C@@H](c2ccc(F)c(Cl)c2)c2ccn(CC(F)(F)F)n2)C(=O)N1
InChIInChI=1S/C16H14ClF4N5O2/c17-9-5-8(1-2-10(9)18)13(26-6-12(14(22)27)23-15(26)28)11-3-4-25(24-11)7-16(19,20)21/h1-5,12-13H,6-7H2,(H2,22,27)(H,23,28)/t12?,13-/m0/s1
InChIKeyIMAYUVYUCZGZPU-ABLWVSNPSA-N
MW419.77 g/mol
LogP2.21
Rot. Bonds5

About 1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide

1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509846) has the molecular formula C16H14ClF4N5O2 and a molecular weight of 419.77 g/mol. Its IUPAC name is 1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509846
Molecular FormulaC16H14ClF4N5O2
Molecular Weight419.77 g/mol
Exact Mass419.08
IUPAC Name1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESNC(=O)C1CN([C@@H](c2ccc(F)c(Cl)c2)c2ccn(CC(F)(F)F)n2)C(=O)N1
InChIInChI=1S/C16H14ClF4N5O2/c17-9-5-8(1-2-10(9)18)13(26-6-12(14(22)27)23-15(26)28)11-3-4-25(24-11)7-16(19,20)21/h1-5,12-13H,6-7H2,(H2,22,27)(H,23,28)/t12?,13-/m0/s1
InChIKeyIMAYUVYUCZGZPU-ABLWVSNPSA-N
XLogP2.21
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.77
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509733
1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509797
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-(4,4-difluorocyclohexyl)oxyethyl]-2-oxoimidazolidine-4-carboxamide
CID 162509643
1-[(R)-[5-chloro-6-(difluoromethyl)-2-pyridinyl]-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509658
3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849346
(5S)-N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 166899295
3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849321
N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 167192191
3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849352
(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520678
2-(3-chloro-4-fluorophenyl)-5-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062853
2-[amino-(3-chloro-4-fluorophenyl)methyl]butanoic acid
CID 116945097

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162509846) is 1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide is NC(=O)C1CN([C@@H](c2ccc(F)c(Cl)c2)c2ccn(CC(F)(F)F)n2)C(=O)N1.
What is the InChIKey of 1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is IMAYUVYUCZGZPU-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H14ClF4N5O2/c17-9-5-8(1-2-10(9)18)13(26-6-12(14(22)27)23-15(26)28)11-3-4-25(24-11)7-16(19,20)21/h1-5,12-13H,6-7H2,(H2,22,27)(H,23,28)/t12?,13-/m0/s1.
What are the key properties of 1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 419.77 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).