N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C17H21F3N4OS — CID 119044503

IUPACN-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccs2)C1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C17H21F3N4OS/c18-17(19,20)12-24-10-14(8-22-24)16(25)21-7-13-3-1-5-23(9-13)11-15-4-2-6-26-15/h2,4,6,8,10,13H,1,3,5,7,9,11-12H2,(H,21,25)
InChIKeyBVLGZDNMELFORT-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.15
Rot. Bonds6

About N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 119044503) has the molecular formula C17H21F3N4OS and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID119044503
Molecular FormulaC17H21F3N4OS
Molecular Weight386.44 g/mol
Exact Mass386.14
IUPAC NameN-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(NCC1CCCN(Cc2cccs2)C1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C17H21F3N4OS/c18-17(19,20)12-24-10-14(8-22-24)16(25)21-7-13-3-1-5-23(9-13)11-15-4-2-6-26-15/h2,4,6,8,10,13H,1,3,5,7,9,11-12H2,(H,21,25)
InChIKeyBVLGZDNMELFORT-UHFFFAOYSA-N
XLogP3.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 49214504
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
1-methyl-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 49214790
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 124581557
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
4-bromo-5-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 56564994
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865366

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 119044503) is N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is O=C(NCC1CCCN(Cc2cccs2)C1)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is BVLGZDNMELFORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4OS/c18-17(19,20)12-24-10-14(8-22-24)16(25)21-7-13-3-1-5-23(9-13)11-15-4-2-6-26-15/h2,4,6,8,10,13H,1,3,5,7,9,11-12H2,(H,21,25).
What are the key properties of N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119044503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).