2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

C13H15F3N4O3 — CID 166721278

IUPAC2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESNC(=O)c1nn2c(c1C1(C(F)(F)F)CCC1)CN(C(=O)O)CC2
InChIInChI=1S/C13H15F3N4O3/c14-13(15,16)12(2-1-3-12)8-7-6-19(11(22)23)4-5-20(7)18-9(8)10(17)21/h1-6H2,(H2,17,21)(H,22,23)
InChIKeyDFBTZPYUQDVULN-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.46
Rot. Bonds2

About 2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 166721278) has the molecular formula C13H15F3N4O3 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID166721278
Molecular FormulaC13H15F3N4O3
Molecular Weight332.28 g/mol
Exact Mass332.11
IUPAC Name2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESNC(=O)c1nn2c(c1C1(C(F)(F)F)CCC1)CN(C(=O)O)CC2
InChIInChI=1S/C13H15F3N4O3/c14-13(15,16)12(2-1-3-12)8-7-6-19(11(22)23)4-5-20(7)18-9(8)10(17)21/h1-6H2,(H2,17,21)(H,22,23)
InChIKeyDFBTZPYUQDVULN-UHFFFAOYSA-N
XLogP1.46
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of 2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 166721278) is 2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for 2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is NC(=O)c1nn2c(c1C1(C(F)(F)F)CCC1)CN(C(=O)O)CC2.
What is the InChIKey of 2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is DFBTZPYUQDVULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O3/c14-13(15,16)12(2-1-3-12)8-7-6-19(11(22)23)4-5-20(7)18-9(8)10(17)21/h1-6H2,(H2,17,21)(H,22,23).
What are the key properties of 2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-3-[1-(trifluoromethyl)cyclobutyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 166721278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).