1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide

C9H10F3N5O2 — CID 175417368

IUPAC1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide
SMILESCN1CC(C(N)=O)N(c2cnn(C(F)(F)F)c2)C1=O
InChIInChI=1S/C9H10F3N5O2/c1-15-4-6(7(13)18)17(8(15)19)5-2-14-16(3-5)9(10,11)12/h2-3,6H,4H2,1H3,(H2,13,18)
InChIKeyJOTSLKHOIXWGEC-UHFFFAOYSA-N
MW277.21 g/mol
LogP0.09
Rot. Bonds2

About 1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide

1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide (PubChem CID 175417368) has the molecular formula C9H10F3N5O2 and a molecular weight of 277.21 g/mol. Its IUPAC name is 1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide
PubChem CID175417368
Molecular FormulaC9H10F3N5O2
Molecular Weight277.21 g/mol
Exact Mass277.08
IUPAC Name1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide
SMILESCN1CC(C(N)=O)N(c2cnn(C(F)(F)F)c2)C1=O
InChIInChI=1S/C9H10F3N5O2/c1-15-4-6(7(13)18)17(8(15)19)5-2-14-16(3-5)9(10,11)12/h2-3,6H,4H2,1H3,(H2,13,18)
InChIKeyJOTSLKHOIXWGEC-UHFFFAOYSA-N
XLogP0.09
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-propan-2-ylpiperazine-1-carboxamide
CID 53505760
1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 53506142
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 53509083
2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 71979170
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 71984828
1-[3-(4-Methylpyrazol-1-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72018136
3-amino-1-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 54594203
N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide
CID 47200160
1-(1-Cyclopropyl-5-oxopyrrolidin-3-yl)-3-(1-ethylpyrazol-4-yl)urea
CID 71863655
N-ethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]acetamide
CID 71864901

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide (CID 175417368) is 1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide is CN1CC(C(N)=O)N(c2cnn(C(F)(F)F)c2)C1=O.
What is the InChIKey of 1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide?
The InChIKey is JOTSLKHOIXWGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O2/c1-15-4-6(7(13)18)17(8(15)19)5-2-14-16(3-5)9(10,11)12/h2-3,6H,4H2,1H3,(H2,13,18).
What are the key properties of 1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide?
1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide has a molecular weight of 277.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-3-[1-(trifluoromethyl)pyrazol-4-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 175417368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).