5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

C10H14F3N5O — CID 145463398

IUPAC5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn(C2CCNCC2)c1N
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)7-6(9(15)19)8(14)18(17-7)5-1-3-16-4-2-5/h5,16H,1-4,14H2,(H2,15,19)
InChIKeyMMYIPLVTHXLWQT-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.51
Rot. Bonds2

About 5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide

5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 145463398) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID145463398
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)nn(C2CCNCC2)c1N
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)7-6(9(15)19)8(14)18(17-7)5-1-3-16-4-2-5/h5,16H,1-4,14H2,(H2,15,19)
InChIKeyMMYIPLVTHXLWQT-UHFFFAOYSA-N
XLogP0.51
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-methyl-4-oxo-6-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-1-yl]propanenitrile
CID 135415516
5-Amino-1-cyclopentyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 19432842
3-(Difluoromethyl)-1-methyl-5-(4-methylpiperidin-1-yl)pyrazole-4-carboxamide
CID 66901616
4-[5-Amino-4-carbamoyl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid
CID 91367214
1-cyclopentyl-3-methyl-6-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135704752
1-tert-butyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 136348768
2-(Trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136428059
1-cyclohexyl-3-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137295990
6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxamide
CID 138705362
3-ethynyl-1-[(3S,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
CID 162380826
2-(3,6-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-methylbutan-2-yl]acetamide
CID 162597683
1-[(3S,5R)-5-(difluoromethyl)pyrrolidin-3-yl]-3-ethynyl-5-(methylamino)pyrazole-4-carboxamide
CID 164780170

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 145463398) is 5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is NC(=O)c1c(C(F)(F)F)nn(C2CCNCC2)c1N.
What is the InChIKey of 5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is MMYIPLVTHXLWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c11-10(12,13)7-6(9(15)19)8(14)18(17-7)5-1-3-16-4-2-5/h5,16H,1-4,14H2,(H2,15,19).
What are the key properties of 5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide?
5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-piperidin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 145463398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).