[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C13H19F3N4O — CID 71980852

IUPAC[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCCN(CC1CCN(C(=O)c2ccn[nH]2)C1)CC(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-2-19(9-13(14,15)16)7-10-4-6-20(8-10)12(21)11-3-5-17-18-11/h3,5,10H,2,4,6-9H2,1H3,(H,17,18)
InChIKeyMXVVCFCYHHIZIY-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.76
Rot. Bonds5

About [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 71980852) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID71980852
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCCN(CC1CCN(C(=O)c2ccn[nH]2)C1)CC(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-2-19(9-13(14,15)16)7-10-4-6-20(8-10)12(21)11-3-5-17-18-11/h3,5,10H,2,4,6-9H2,1H3,(H,17,18)
InChIKeyMXVVCFCYHHIZIY-UHFFFAOYSA-N
XLogP1.76
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone with MolForge

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Related Compounds

N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
2-[(3aR,7aR)-2-(1H-pyrazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-N-methylacetamide
CID 97402525
1H-Pyrazole-3-carboxylic acid (methyl)(1,2,2,6,6-pentamethylpiperidin-4-yl)amide
CID 672567
N-tert-Butyl-1H-pyrazole-5-carboxamide
CID 23279698
Ethane-1,2-diamine, N,N'-bis(3-pyrazolylcarbonyl)-
CID 565685
N-(4,4-difluorocyclohexyl)-1H-pyrazole-5-carboxamide
CID 121021903
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide hydrochloride
CID 71758320
N-(2-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 53538100
N,N-diethyl-1H-pyrazole-3-carboxamide
CID 5128709
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl](1H-pyrazol-5-yl)methanone
CID 4767532
1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 42959182

Frequently Asked Questions

What is the IUPAC name of [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 71980852) is [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is CCN(CC1CCN(C(=O)c2ccn[nH]2)C1)CC(F)(F)F.
What is the InChIKey of [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is MXVVCFCYHHIZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-19(9-13(14,15)16)7-10-4-6-20(8-10)12(21)11-3-5-17-18-11/h3,5,10H,2,4,6-9H2,1H3,(H,17,18).
What are the key properties of [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 304.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 71980852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).