3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide

C24H25F3N4O — CID 42155853

IUPAC3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccnn1C1CCN(Cc2c(F)ccc(F)c2F)CC1
InChIInChI=1S/C24H25F3N4O/c25-20-7-8-21(26)24(27)19(20)16-30-14-11-18(12-15-30)31-22(10-13-28-31)29-23(32)9-6-17-4-2-1-3-5-17/h1-5,7-8,10,13,18H,6,9,11-12,14-16H2,(H,29,32)
InChIKeyHBGGRVVOLYSKJX-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.71
Rot. Bonds7

About 3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide

3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 42155853) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is 3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
PubChem CID42155853
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccnn1C1CCN(Cc2c(F)ccc(F)c2F)CC1
InChIInChI=1S/C24H25F3N4O/c25-20-7-8-21(26)24(27)19(20)16-30-14-11-18(12-15-30)31-22(10-13-28-31)29-23(32)9-6-17-4-2-1-3-5-17/h1-5,7-8,10,13,18H,6,9,11-12,14-16H2,(H,29,32)
InChIKeyHBGGRVVOLYSKJX-UHFFFAOYSA-N
XLogP4.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
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N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
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N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
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N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 25455004
N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 56748004
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
4-phenyl-N-[2-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide (CID 42155853) is 3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide is O=C(CCc1ccccc1)Nc1ccnn1C1CCN(Cc2c(F)ccc(F)c2F)CC1.
What is the InChIKey of 3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The InChIKey is HBGGRVVOLYSKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c25-20-7-8-21(26)24(27)19(20)16-30-14-11-18(12-15-30)31-22(10-13-28-31)29-23(32)9-6-17-4-2-1-3-5-17/h1-5,7-8,10,13,18H,6,9,11-12,14-16H2,(H,29,32).
What are the key properties of 3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 442.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 42155853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).