1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone

C18H25F3N4O2 — CID 136518489

IUPAC1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone
SMILESCn1cc(C(=O)CC2CCCN2C(=O)C2CCCN(CC(F)(F)F)C2)cn1
InChIInChI=1S/C18H25F3N4O2/c1-23-10-14(9-22-23)16(26)8-15-5-3-7-25(15)17(27)13-4-2-6-24(11-13)12-18(19,20)21/h9-10,13,15H,2-8,11-12H2,1H3
InChIKeyXPVRJRHYVMVQPV-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.26
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone

1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone (PubChem CID 136518489) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone
PubChem CID136518489
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone
SMILESCn1cc(C(=O)CC2CCCN2C(=O)C2CCCN(CC(F)(F)F)C2)cn1
InChIInChI=1S/C18H25F3N4O2/c1-23-10-14(9-22-23)16(26)8-15-5-3-7-25(15)17(27)13-4-2-6-24(11-13)12-18(19,20)21/h9-10,13,15H,2-8,11-12H2,1H3
InChIKeyXPVRJRHYVMVQPV-UHFFFAOYSA-N
XLogP2.26
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 98248444
2-[1-(2-cyclopropylcyclopropanecarbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393459
2-[(2R)-1-[(2S)-1-(furan-2-carbonyl)piperidine-2-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 98237654
2-[(2R)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248084
2-[(2S)-1-(cyclopentene-1-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248046
3-(4-fluorophenyl)-1-[(2R)-2-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]pyrrolidin-1-yl]propan-1-one
CID 124592360
2-[1-[2-(2,4-difluorophenyl)acetyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 84592445
2-[(2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97248069
2-[1-(5-chloropyridine-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393457
2-[1-(4-fluoro-3-methoxybenzoyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75435113
2-[1-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393461
2-[1-(3-methoxythiophene-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 136516635

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone (CID 136518489) is 1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone is Cn1cc(C(=O)CC2CCCN2C(=O)C2CCCN(CC(F)(F)F)C2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone?
The InChIKey is XPVRJRHYVMVQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-23-10-14(9-22-23)16(26)8-15-5-3-7-25(15)17(27)13-4-2-6-24(11-13)12-18(19,20)21/h9-10,13,15H,2-8,11-12H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone?
1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone has a molecular weight of 386.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-[1-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 136518489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).