N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C11H13F3N4O2 — CID 115629965

IUPACN-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1cn[nH]c1NC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H13F3N4O2/c1-6-3-15-17-9(6)16-10(20)7-2-8(19)18(4-7)5-11(12,13)14/h3,7H,2,4-5H2,1H3,(H2,15,16,17,20)
InChIKeyBLHMIDTTXKIVJU-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.07
Rot. Bonds3

About N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 115629965) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID115629965
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1cn[nH]c1NC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H13F3N4O2/c1-6-3-15-17-9(6)16-10(20)7-2-8(19)18(4-7)5-11(12,13)14/h3,7H,2,4-5H2,1H3,(H2,15,16,17,20)
InChIKeyBLHMIDTTXKIVJU-UHFFFAOYSA-N
XLogP1.07
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 42956776
N-(4-bromo-3-methylphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55604591
5-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103725850
methyl 4-methyl-3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 55605186
(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
(3R)-N-[2-methyl-2-(2-methylphenyl)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 52843861
2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
CID 119253907
N-[(2R)-1-hydroxybutan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103920300
(3R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 31862001
N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119420226
(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 34955432
N-[2-(ethylaminomethyl)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119440503

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 115629965) is N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is Cc1cn[nH]c1NC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is BLHMIDTTXKIVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-6-3-15-17-9(6)16-10(20)7-2-8(19)18(4-7)5-11(12,13)14/h3,7H,2,4-5H2,1H3,(H2,15,16,17,20).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115629965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).