(4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide

C16H15ClF3N5O2 — CID 167527844

IUPAC(4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCn1nc([C@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H15ClF3N5O2/c1-25-12(16(18,19)20)6-10(24-25)13(8-2-4-9(17)5-3-8)23-14(26)11-7-21-15(27)22-11/h2-6,11,13H,7H2,1H3,(H,23,26)(H2,21,22,27)/t11-,13+/m0/s1
InChIKeyRLQADBAWKKGXFD-WCQYABFASA-N
MW401.78 g/mol
LogP1.98
Rot. Bonds4

About (4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 167527844) has the molecular formula C16H15ClF3N5O2 and a molecular weight of 401.78 g/mol. Its IUPAC name is (4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID167527844
Molecular FormulaC16H15ClF3N5O2
Molecular Weight401.78 g/mol
Exact Mass401.09
IUPAC Name(4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCn1nc([C@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H15ClF3N5O2/c1-25-12(16(18,19)20)6-10(24-25)13(8-2-4-9(17)5-3-8)23-14(26)11-7-21-15(27)22-11/h2-6,11,13H,7H2,1H3,(H,23,26)(H2,21,22,27)/t11-,13+/m0/s1
InChIKeyRLQADBAWKKGXFD-WCQYABFASA-N
XLogP1.98
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.78
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 167527844) is (4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide is Cn1nc([C@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of (4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is RLQADBAWKKGXFD-WCQYABFASA-N. The full InChI is InChI=1S/C16H15ClF3N5O2/c1-25-12(16(18,19)20)6-10(24-25)13(8-2-4-9(17)5-3-8)23-14(26)11-7-21-15(27)22-11/h2-6,11,13H,7H2,1H3,(H,23,26)(H2,21,22,27)/t11-,13+/m0/s1.
What are the key properties of (4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 401.78 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(R)-(4-chlorophenyl)-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 167527844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).