N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C15H17F3N6O — CID 133269175

IUPACN-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NC1CC(c2ccncc2)NN1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N6O/c1-9(24-7-4-12(23-24)15(16,17)18)14(25)20-13-8-11(21-22-13)10-2-5-19-6-3-10/h2-7,9,11,13,21-22H,8H2,1H3,(H,20,25)
InChIKeyFPUHLFGNCVLYHC-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.54
Rot. Bonds4

About N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 133269175) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID133269175
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC NameN-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NC1CC(c2ccncc2)NN1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N6O/c1-9(24-7-4-12(23-24)15(16,17)18)14(25)20-13-8-11(21-22-13)10-2-5-19-6-3-10/h2-7,9,11,13,21-22H,8H2,1H3,(H,20,25)
InChIKeyFPUHLFGNCVLYHC-UHFFFAOYSA-N
XLogP1.54
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpyrazol-3-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide
CID 46985016
2-[4-[3-(6-fluoro-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazol-1-yl]acetamide
CID 78054600
(2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxamide
CID 165138833
(2S,4R)-1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 165139292
(2S,4R)-1-(2-(5-(difluoromethyl)-1H-pyrazol-1-yl)acetyl)-4-fluoro-N-((S)-(6-fluoro-5-isopropylpyridin-2-yl)(phenyl)methyl)pyrrolidine-2-carboxamide
CID 165140618
(2S,4R)-4-fluoro-N-[(S)-phenyl-(5-propan-2-yl-2-pyridinyl)methyl]-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxamide
CID 169551280
(2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxamide
CID 169551411
(2S,4R)-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxamide
CID 169551412
US10364238, Example 29
CID 146676866
N-(5-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147768
2-pyrazol-1-yl-N-(1-pyridin-3-ylethyl)acetamide
CID 53503532
1-[(6-Methyl-3-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 53505364

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 133269175) is N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)NC1CC(c2ccncc2)NN1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is FPUHLFGNCVLYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-9(24-7-4-12(23-24)15(16,17)18)14(25)20-13-8-11(21-22-13)10-2-5-19-6-3-10/h2-7,9,11,13,21-22H,8H2,1H3,(H,20,25).
What are the key properties of N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 354.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-ylpyrazolidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 133269175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).