(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide

C17H20F3N5O2 — CID 44629281

IUPAC(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide
SMILESCn1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)cc2=O)n1
InChIInChI=1S/C17H20F3N5O2/c1-24-7-6-14(23-24)22-16(27)12(8-11-4-2-3-5-11)25-10-21-13(9-15(25)26)17(18,19)20/h6-7,9-12H,2-5,8H2,1H3,(H,22,23,27)/t12-/m0/s1
InChIKeyPGJYEOMCPSXKNN-LBPRGKRZSA-N
MW383.37 g/mol
LogP2.76
Rot. Bonds5

About (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide

(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide (PubChem CID 44629281) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide
PubChem CID44629281
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC Name(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide
SMILESCn1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)cc2=O)n1
InChIInChI=1S/C17H20F3N5O2/c1-24-7-6-14(23-24)22-16(27)12(8-11-4-2-3-5-11)25-10-21-13(9-15(25)26)17(18,19)20/h6-7,9-12H,2-5,8H2,1H3,(H,22,23,27)/t12-/m0/s1
InChIKeyPGJYEOMCPSXKNN-LBPRGKRZSA-N
XLogP2.76
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide (CID 44629281) is (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide is Cn1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)cc2=O)n1.
What is the InChIKey of (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide?
The InChIKey is PGJYEOMCPSXKNN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-24-7-6-14(23-24)22-16(27)12(8-11-4-2-3-5-11)25-10-21-13(9-15(25)26)17(18,19)20/h6-7,9-12H,2-5,8H2,1H3,(H,22,23,27)/t12-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide?
(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide has a molecular weight of 383.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide is sourced from PubChem (CID 44629281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).