1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide

C22H22F3N5O — CID 139001876

IUPAC1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide
SMILESO=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C1CCCCN1Cc1cccnc1
InChIInChI=1S/C22H22F3N5O/c23-22(24,25)17-6-3-7-18(13-17)30-12-9-20(28-30)27-21(31)19-8-1-2-11-29(19)15-16-5-4-10-26-14-16/h3-7,9-10,12-14,19H,1-2,8,11,15H2,(H,27,28,31)
InChIKeyGECWWPFEFSZQIB-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.28
Rot. Bonds5

About 1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide

1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide (PubChem CID 139001876) has the molecular formula C22H22F3N5O and a molecular weight of 429.45 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide
PubChem CID139001876
Molecular FormulaC22H22F3N5O
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Name1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide
SMILESO=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C1CCCCN1Cc1cccnc1
InChIInChI=1S/C22H22F3N5O/c23-22(24,25)17-6-3-7-18(13-17)30-12-9-20(28-30)27-21(31)19-8-1-2-11-29(19)15-16-5-4-10-26-14-16/h3-7,9-10,12-14,19H,1-2,8,11,15H2,(H,27,28,31)
InChIKeyGECWWPFEFSZQIB-UHFFFAOYSA-N
XLogP4.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42292661
(2S)-1-benzyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 39855223
(3R)-3-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 99777369
(2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42518874
5,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]oxolane-2-carboxamide
CID 139008920
(2S)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 95622313
(2S)-1-(pyridin-3-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-2-carboxamide
CID 95619721
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
N-[3-(2-methylimidazol-1-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 56786115
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45246019
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45243408

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide?
The IUPAC name of 1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide (CID 139001876) is 1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide is O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C1CCCCN1Cc1cccnc1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide?
The InChIKey is GECWWPFEFSZQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O/c23-22(24,25)17-6-3-7-18(13-17)30-12-9-20(28-30)27-21(31)19-8-1-2-11-29(19)15-16-5-4-10-26-14-16/h3-7,9-10,12-14,19H,1-2,8,11,15H2,(H,27,28,31).
What are the key properties of 1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide?
1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-2-carboxamide is sourced from PubChem (CID 139001876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).