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

C19H23F3N4O2 — CID 44629053

IUPAC(2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESCCn1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(C(F)(F)F)cc2=O)n1
InChIInChI=1S/C19H23F3N4O2/c1-2-25-9-8-16(24-25)23-18(28)15(11-13-5-3-4-6-13)26-10-7-14(12-17(26)27)19(20,21)22/h7-10,12-13,15H,2-6,11H2,1H3,(H,23,24,28)/t15-/m0/s1
InChIKeyGQHOVLKKNIRPKR-HNNXBMFYSA-N
MW396.41 g/mol
LogP3.84
Rot. Bonds6

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

(2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide (PubChem CID 44629053) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
PubChem CID44629053
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name(2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESCCn1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(C(F)(F)F)cc2=O)n1
InChIInChI=1S/C19H23F3N4O2/c1-2-25-9-8-16(24-25)23-18(28)15(11-13-5-3-4-6-13)26-10-7-14(12-17(26)27)19(20,21)22/h7-10,12-13,15H,2-6,11H2,1H3,(H,23,24,28)/t15-/m0/s1
InChIKeyGQHOVLKKNIRPKR-HNNXBMFYSA-N
XLogP3.84
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide (CID 44629053) is (2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide is CCn1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(C(F)(F)F)cc2=O)n1.
What is the InChIKey of (2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
The InChIKey is GQHOVLKKNIRPKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-2-25-9-8-16(24-25)23-18(28)15(11-13-5-3-4-6-13)26-10-7-14(12-17(26)27)19(20,21)22/h7-10,12-13,15H,2-6,11H2,1H3,(H,23,24,28)/t15-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide?
(2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide has a molecular weight of 396.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide is sourced from PubChem (CID 44629053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).