3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide

C18H21F3N4O2 — CID 67215552

IUPAC3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESCn1ccc(NC(=O)C(CC2CCCC2)n2ccc(C(F)(F)F)cc2=O)n1
InChIInChI=1S/C18H21F3N4O2/c1-24-8-7-15(23-24)22-17(27)14(10-12-4-2-3-5-12)25-9-6-13(11-16(25)26)18(19,20)21/h6-9,11-12,14H,2-5,10H2,1H3,(H,22,23,27)
InChIKeyNRNQOFFWJOZFCS-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.36
Rot. Bonds5

About 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide

3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide (PubChem CID 67215552) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
PubChem CID67215552
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESCn1ccc(NC(=O)C(CC2CCCC2)n2ccc(C(F)(F)F)cc2=O)n1
InChIInChI=1S/C18H21F3N4O2/c1-24-8-7-15(23-24)22-17(27)14(10-12-4-2-3-5-12)25-9-6-13(11-16(25)26)18(19,20)21/h6-9,11-12,14H,2-5,10H2,1H3,(H,22,23,27)
InChIKeyNRNQOFFWJOZFCS-UHFFFAOYSA-N
XLogP3.36
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide (CID 67215552) is 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide is Cn1ccc(NC(=O)C(CC2CCCC2)n2ccc(C(F)(F)F)cc2=O)n1.
What is the InChIKey of 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The InChIKey is NRNQOFFWJOZFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-24-8-7-15(23-24)22-17(27)14(10-12-4-2-3-5-12)25-9-6-13(11-16(25)26)18(19,20)21/h6-9,11-12,14H,2-5,10H2,1H3,(H,22,23,27).
What are the key properties of 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide has a molecular weight of 382.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide is sourced from PubChem (CID 67215552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).