1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H14F3N5O2 — CID 118782562

IUPAC1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NCCN1CCNC1=O
InChIInChI=1S/C11H14F3N5O2/c1-18-7(6-8(17-18)11(12,13)14)9(20)15-2-4-19-5-3-16-10(19)21/h6H,2-5H2,1H3,(H,15,20)(H,16,21)
InChIKeyDNSTXLFYXUWLME-UHFFFAOYSA-N
MW305.26 g/mol
LogP0.19
Rot. Bonds4

About 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 118782562) has the molecular formula C11H14F3N5O2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID118782562
Molecular FormulaC11H14F3N5O2
Molecular Weight305.26 g/mol
Exact Mass305.11
IUPAC Name1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NCCN1CCNC1=O
InChIInChI=1S/C11H14F3N5O2/c1-18-7(6-8(17-18)11(12,13)14)9(20)15-2-4-19-5-3-16-10(19)21/h6H,2-5H2,1H3,(H,15,20)(H,16,21)
InChIKeyDNSTXLFYXUWLME-UHFFFAOYSA-N
XLogP0.19
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 118782562) is 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NCCN1CCNC1=O.
What is the InChIKey of 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is DNSTXLFYXUWLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O2/c1-18-7(6-8(17-18)11(12,13)14)9(20)15-2-4-19-5-3-16-10(19)21/h6H,2-5H2,1H3,(H,15,20)(H,16,21).
What are the key properties of 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 305.26 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 118782562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).