N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide

C15H16F3N5O2 — CID 167919378

IUPACN-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
SMILESCCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C15H16F3N5O2/c1-3-23-8-11(7-20-23)22-14(25)13(24)21-9(2)10-4-5-12(19-6-10)15(16,17)18/h4-9H,3H2,1-2H3,(H,21,24)(H,22,25)/t9-/m0/s1
InChIKeyUMLNZWDYPWOEPO-VIFPVBQESA-N
MW355.32 g/mol
LogP2.13
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide

N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide (PubChem CID 167919378) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
PubChem CID167919378
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC NameN-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
SMILESCCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C15H16F3N5O2/c1-3-23-8-11(7-20-23)22-14(25)13(24)21-9(2)10-4-5-12(19-6-10)15(16,17)18/h4-9H,3H2,1-2H3,(H,21,24)(H,22,25)/t9-/m0/s1
InChIKeyUMLNZWDYPWOEPO-VIFPVBQESA-N
XLogP2.13
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide (CID 167919378) is N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide is CCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide?
The InChIKey is UMLNZWDYPWOEPO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-3-23-8-11(7-20-23)22-14(25)13(24)21-9(2)10-4-5-12(19-6-10)15(16,17)18/h4-9H,3H2,1-2H3,(H,21,24)(H,22,25)/t9-/m0/s1.
What are the key properties of N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide?
N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide has a molecular weight of 355.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide is sourced from PubChem (CID 167919378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).