N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide

C17H26F3N5O — CID 128758059

IUPACN-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide
SMILESCCn1ncc(NC(=O)N2CCCCC2C2CCCNC2)c1C(F)(F)F
InChIInChI=1S/C17H26F3N5O/c1-2-25-15(17(18,19)20)13(11-22-25)23-16(26)24-9-4-3-7-14(24)12-6-5-8-21-10-12/h11-12,14,21H,2-10H2,1H3,(H,23,26)
InChIKeyPYIIUAVFNPVIBF-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.31
Rot. Bonds3

About N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide

N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide (PubChem CID 128758059) has the molecular formula C17H26F3N5O and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide
PubChem CID128758059
Molecular FormulaC17H26F3N5O
Molecular Weight373.42 g/mol
Exact Mass373.21
IUPAC NameN-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide
SMILESCCn1ncc(NC(=O)N2CCCCC2C2CCCNC2)c1C(F)(F)F
InChIInChI=1S/C17H26F3N5O/c1-2-25-15(17(18,19)20)13(11-22-25)23-16(26)24-9-4-3-7-14(24)12-6-5-8-21-10-12/h11-12,14,21H,2-10H2,1H3,(H,23,26)
InChIKeyPYIIUAVFNPVIBF-UHFFFAOYSA-N
XLogP3.31
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 127688084
1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-3-[(4S)-spiro[4.5]decan-4-yl]urea
CID 164631235
1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-[(4S)-spiro[4.5]decan-4-yl]urea
CID 164638754
3-[1-ethyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(octahydro-1H-inden-5-yl)urea
CID 128244142
N-[1-(difluoromethyl)-1H-pyrazol-4-yl]-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 138998244
1-[3-[[2-[(3-Methyl-1-piperidin-4-ylpyrazol-4-yl)amino]-5-(trifluoromethyl)piperidin-4-yl]amino]propyl]azepan-2-one
CID 164606338
3-(difluoromethyl)-1-[4-[(4-ethylpiperazin-1-yl)methyl]cyclohexyl]-N-methylpyrazol-4-amine
CID 175621496
2-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 71971060
N-(2-ethylbutyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448726
N-(4-methylpentan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448756
N-(1-cyclobutylethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448759
N-(2-propylcyclopropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 84598055

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide (CID 128758059) is N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide is CCn1ncc(NC(=O)N2CCCCC2C2CCCNC2)c1C(F)(F)F.
What is the InChIKey of N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide?
The InChIKey is PYIIUAVFNPVIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N5O/c1-2-25-15(17(18,19)20)13(11-22-25)23-16(26)24-9-4-3-7-14(24)12-6-5-8-21-10-12/h11-12,14,21H,2-10H2,1H3,(H,23,26).
What are the key properties of N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide?
N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-2-piperidin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 128758059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).