5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C19H22F4N4O — CID 166229602

IUPAC5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCCN1Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H22F4N4O/c1-26(2)18(28)13-10-24-25-17(13)16-5-3-4-8-27(16)11-12-6-7-15(20)14(9-12)19(21,22)23/h6-7,9-10,16H,3-5,8,11H2,1-2H3,(H,24,25)
InChIKeySAPCNIBPPHPNPY-UHFFFAOYSA-N
MW398.40 g/mol
LogP4.00
Rot. Bonds4

About 5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 166229602) has the molecular formula C19H22F4N4O and a molecular weight of 398.40 g/mol. Its IUPAC name is 5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID166229602
Molecular FormulaC19H22F4N4O
Molecular Weight398.40 g/mol
Exact Mass398.17
IUPAC Name5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCCN1Cc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H22F4N4O/c1-26(2)18(28)13-10-24-25-17(13)16-5-3-4-8-27(16)11-12-6-7-15(20)14(9-12)19(21,22)23/h6-7,9-10,16H,3-5,8,11H2,1-2H3,(H,24,25)
InChIKeySAPCNIBPPHPNPY-UHFFFAOYSA-N
XLogP4.00
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 166229602) is 5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1C1CCCCN1Cc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is SAPCNIBPPHPNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N4O/c1-26(2)18(28)13-10-24-25-17(13)16-5-3-4-8-27(16)11-12-6-7-15(20)14(9-12)19(21,22)23/h6-7,9-10,16H,3-5,8,11H2,1-2H3,(H,24,25).
What are the key properties of 5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 398.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166229602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).