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

C20H22F3N3O3 — CID 77237537

IUPACN-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C1CCC(CC(C(=O)Nc2ccn(CCO)n2)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)15-3-1-2-14(12-15)17(11-13-4-5-16(28)10-13)19(29)24-18-6-7-26(25-18)8-9-27/h1-3,6-7,12-13,17,27H,4-5,8-11H2,(H,24,25,29)
InChIKeyNOBQTPGJHIHXIL-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.38
Rot. Bonds7

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

N-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 77237537) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID77237537
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C1CCC(CC(C(=O)Nc2ccn(CCO)n2)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)15-3-1-2-14(12-15)17(11-13-4-5-16(28)10-13)19(29)24-18-6-7-26(25-18)8-9-27/h1-3,6-7,12-13,17,27H,4-5,8-11H2,(H,24,25,29)
InChIKeyNOBQTPGJHIHXIL-UHFFFAOYSA-N
XLogP3.38
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide (CID 77237537) is N-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide is O=C1CCC(CC(C(=O)Nc2ccn(CCO)n2)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is NOBQTPGJHIHXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c21-20(22,23)15-3-1-2-14(12-15)17(11-13-4-5-16(28)10-13)19(29)24-18-6-7-26(25-18)8-9-27/h1-3,6-7,12-13,17,27H,4-5,8-11H2,(H,24,25,29).
What are the key properties of N-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide?
N-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 409.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)pyrazol-3-yl]-3-(3-oxocyclopentyl)-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 77237537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).