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

C23H24F3N5O3 — CID 176734384

IUPAC(E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)NCC(=O)N1CCn2ncc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C23H24F3N5O3/c24-23(25,26)17-6-3-16(4-7-17)5-8-20(32)27-14-21(33)30-11-12-31-19(15-30)18(13-28-31)22(34)29-9-1-2-10-29/h3-8,13H,1-2,9-12,14-15H2,(H,27,32)/b8-5+
InChIKeyYUPFUABJXFYCQH-VMPITWQZSA-N
MW475.47 g/mol
LogP2.31
Rot. Bonds5

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

(E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 176734384) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is (E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID176734384
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name(E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)NCC(=O)N1CCn2ncc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C23H24F3N5O3/c24-23(25,26)17-6-3-16(4-7-17)5-8-20(32)27-14-21(33)30-11-12-31-19(15-30)18(13-28-31)22(34)29-9-1-2-10-29/h3-8,13H,1-2,9-12,14-15H2,(H,27,32)/b8-5+
InChIKeyYUPFUABJXFYCQH-VMPITWQZSA-N
XLogP2.31
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
CID 137452620
CID 137452620
CID 137452722
CID 137452722
2-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 24791246
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24793944
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 57398389
6-fluoro-4-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]amino]-1H-quinolin-2-one
CID 90682477
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrazole-5-carboxamide
CID 71288561
US9670157, 117 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-3-fluoro-benzylamide
CID 86290528
US9598423, Example 14
CID 118062158
US9598423, Example 88
CID 118069197
(7S)-N-[(1-methylpyrazol-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282356

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 176734384) is (E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCC(=O)N1CCn2ncc(C(=O)N3CCCC3)c2C1.
What is the InChIKey of (E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is YUPFUABJXFYCQH-VMPITWQZSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c24-23(25,26)17-6-3-16(4-7-17)5-8-20(32)27-14-21(33)30-11-12-31-19(15-30)18(13-28-31)22(34)29-9-1-2-10-29/h3-8,13H,1-2,9-12,14-15H2,(H,27,32)/b8-5+.
What are the key properties of (E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 475.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 176734384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).