1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C16H15ClF3N5O2 — CID 2810726

IUPAC1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C16H15ClF3N5O2/c17-10-1-3-11(4-2-10)25-13(16(18,19)20)12(9-23-25)14(26)21-5-7-24-8-6-22-15(24)27/h1-4,9H,5-8H2,(H,21,26)(H,22,27)
InChIKeyLEJAWIRMEONIMA-UHFFFAOYSA-N
MW401.78 g/mol
LogP2.30
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 2810726) has the molecular formula C16H15ClF3N5O2 and a molecular weight of 401.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID2810726
Molecular FormulaC16H15ClF3N5O2
Molecular Weight401.78 g/mol
Exact Mass401.09
IUPAC Name1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C16H15ClF3N5O2/c17-10-1-3-11(4-2-10)25-13(16(18,19)20)12(9-23-25)14(26)21-5-7-24-8-6-22-15(24)27/h1-4,9H,5-8H2,(H,21,26)(H,22,27)
InChIKeyLEJAWIRMEONIMA-UHFFFAOYSA-N
XLogP2.30
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.78
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 2810726) is 1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCCN1CCNC1=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LEJAWIRMEONIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N5O2/c17-10-1-3-11(4-2-10)25-13(16(18,19)20)12(9-23-25)14(26)21-5-7-24-8-6-22-15(24)27/h1-4,9H,5-8H2,(H,21,26)(H,22,27).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 401.78 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2810726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).