(E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C18H17F3N4O2 — CID 176734309

IUPAC(E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)NCC(=O)N1CCn2nccc2C1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)14-4-1-13(2-5-14)3-6-16(26)22-11-17(27)24-9-10-25-15(12-24)7-8-23-25/h1-8H,9-12H2,(H,22,26)/b6-3+
InChIKeyBBVNIBUAQAFLNN-ZZXKWVIFSA-N
MW378.35 g/mol
LogP2.07
Rot. Bonds4

About (E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 176734309) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is (E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID176734309
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name(E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)NCC(=O)N1CCn2nccc2C1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)14-4-1-13(2-5-14)3-6-16(26)22-11-17(27)24-9-10-25-15(12-24)7-8-23-25/h1-8H,9-12H2,(H,22,26)/b6-3+
InChIKeyBBVNIBUAQAFLNN-ZZXKWVIFSA-N
XLogP2.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
5-[1-[(3,4-Difluorophenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
CID 155534784
1-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indazole
CID 3239674
2-Indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone
CID 5307808
N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307927
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309042
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309752
N-(pyridin-2-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309885
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 16255048
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 16286690
2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 24791246

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 176734309) is (E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCC(=O)N1CCn2nccc2C1.
What is the InChIKey of (E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is BBVNIBUAQAFLNN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)14-4-1-13(2-5-14)3-6-16(26)22-11-17(27)24-9-10-25-15(12-24)7-8-23-25/h1-8H,9-12H2,(H,22,26)/b6-3+.
What are the key properties of (E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 378.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 176734309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).