N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C10H11F3N4O2 — CID 110867980

IUPACN-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)17-5-1-2-6(17)8(18)15-7-3-4-14-16-7/h3-4,6H,1-2,5H2,(H2,14,15,16,18)
InChIKeyREBDHFJFKWKWBV-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.90
Rot. Bonds2

About N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110867980) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110867980
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC NameN-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)17-5-1-2-6(17)8(18)15-7-3-4-14-16-7/h3-4,6H,1-2,5H2,(H2,14,15,16,18)
InChIKeyREBDHFJFKWKWBV-UHFFFAOYSA-N
XLogP0.90
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110867980) is N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(Nc1ccn[nH]1)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is REBDHFJFKWKWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)17-5-1-2-6(17)8(18)15-7-3-4-14-16-7/h3-4,6H,1-2,5H2,(H2,14,15,16,18).
What are the key properties of N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 276.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110867980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).