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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(N-[2-[3,5-bis(trifluoromethyl)-2-pyridinyl]acetyl]-4-fluoroanilino)prop-1-ynyl]pyrazol-1-yl]propanamide
CID 168286360
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 1259244
N-benzyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 653962
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 3245050
2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(2-pyrazol-1-yl-benzyl)-acetamide
CID 10228750
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazine-2-carboxamide
CID 16190969
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-2-[(4-fluoropyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone
CID 90232067
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(6-pyridin-3-yl-3-pyridinyl)propanamide
CID 117671078
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
CID 118450657
(2S)-N-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-2-hydroxy-2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 132227715
N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484723
(2S)-3-(4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-2-hydroxy-2-methylpropanamide
CID 148213708

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).