5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide

C12H17F3N4O — CID 62866358

IUPAC5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C12H17F3N4O/c1-8-10(5-17-18-8)11(20)16-4-9-2-3-19(6-9)7-12(13,14)15/h5,9H,2-4,6-7H2,1H3,(H,16,20)(H,17,18)
InChIKeyHXMBZLACFLWFJH-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.33
Rot. Bonds4

About 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide

5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 62866358) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID62866358
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C12H17F3N4O/c1-8-10(5-17-18-8)11(20)16-4-9-2-3-19(6-9)7-12(13,14)15/h5,9H,2-4,6-7H2,1H3,(H,16,20)(H,17,18)
InChIKeyHXMBZLACFLWFJH-UHFFFAOYSA-N
XLogP1.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
N-(4-amino-4-oxobutyl)-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56818095
1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidinecarboxamide
CID 91909579
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-3-methyl-1H-pyrazole-4-carboxamide
CID 91911094
N-[(5-Methyl-1H-pyrazol-4-YL)methyl]-1-(6-oxo-1,6-dihydropyridazin-4-YL)pyrrolidine-3-carboxamide
CID 91920234
5-methyl-N-(2-sulfanylethyl)-1H-pyrazole-4-carboxamide
CID 177680541
1,3-Dimethyl-N-(3-(2-oxopyrrolidin-1-yl)propyl)-1H-pyrazole-4-carboxamide
CID 42352840
5-methyl-N-[3-(2-methylpropylsulfanyl)propyl]-1H-pyrazole-4-carboxamide
CID 75433102
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97588991
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (CID 62866358) is 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is HXMBZLACFLWFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-8-10(5-17-18-8)11(20)16-4-9-2-3-19(6-9)7-12(13,14)15/h5,9H,2-4,6-7H2,1H3,(H,16,20)(H,17,18).
What are the key properties of 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62866358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).