1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

C14H19F3N4O2 — CID 110870143

IUPAC1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-8-10(9(2)20(3)19-8)7-18-12(22)11-5-4-6-21(11)13(23)14(15,16)17/h11H,4-7H2,1-3H3,(H,18,22)
InChIKeyJMWZOYNLOQLTEK-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.21
Rot. Bonds3

About 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 110870143) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID110870143
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C14H19F3N4O2/c1-8-10(9(2)20(3)19-8)7-18-12(22)11-5-4-6-21(11)13(23)14(15,16)17/h11H,4-7H2,1-3H3,(H,18,22)
InChIKeyJMWZOYNLOQLTEK-UHFFFAOYSA-N
XLogP1.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
N-(2-acetamidoethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043909
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117
(3R*,5R*)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72896570
N-methyl-7-oxo-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]azepane-2-carboxamide
CID 91908908
N-[2-(dimethylamino)ethyl]-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502077
N-ethyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502104
5-methyl-1-(1-methylpiperidin-3-yl)-N-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502105
N-butan-2-yl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502107
N-cyclopentyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502115

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 110870143) is 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is Cc1nn(C)c(C)c1CNC(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is JMWZOYNLOQLTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-8-10(9(2)20(3)19-8)7-18-12(22)11-5-4-6-21(11)13(23)14(15,16)17/h11H,4-7H2,1-3H3,(H,18,22).
What are the key properties of 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110870143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).