N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide

C21H24F3N3O3 — CID 67188073

IUPACN-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C1CC[C@H](CC(C(=O)Nc2ccn(CCCO)n2)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H24F3N3O3/c22-21(23,24)16-4-1-3-15(13-16)18(12-14-5-6-17(29)11-14)20(30)25-19-7-9-27(26-19)8-2-10-28/h1,3-4,7,9,13-14,18,28H,2,5-6,8,10-12H2,(H,25,26,30)/t14-,18?/m0/s1
InChIKeyJWUMGNASYBFTHI-PIVQAISJSA-N
MW423.44 g/mol
LogP3.77
Rot. Bonds8

About N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide

N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 67188073) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID67188073
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC NameN-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C1CC[C@H](CC(C(=O)Nc2ccn(CCCO)n2)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H24F3N3O3/c22-21(23,24)16-4-1-3-15(13-16)18(12-14-5-6-17(29)11-14)20(30)25-19-7-9-27(26-19)8-2-10-28/h1,3-4,7,9,13-14,18,28H,2,5-6,8,10-12H2,(H,25,26,30)/t14-,18?/m0/s1
InChIKeyJWUMGNASYBFTHI-PIVQAISJSA-N
XLogP3.77
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide (CID 67188073) is N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide is O=C1CC[C@H](CC(C(=O)Nc2ccn(CCCO)n2)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JWUMGNASYBFTHI-PIVQAISJSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c22-21(23,24)16-4-1-3-15(13-16)18(12-14-5-6-17(29)11-14)20(30)25-19-7-9-27(26-19)8-2-10-28/h1,3-4,7,9,13-14,18,28H,2,5-6,8,10-12H2,(H,25,26,30)/t14-,18?/m0/s1.
What are the key properties of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 423.44 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)pyrazol-3-yl]-3-[(1R)-3-oxocyclopentyl]-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 67188073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).