3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H19F3N4O3 — CID 160739871

IUPAC3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(C[C@H]1CCOC1)c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2
InChIInChI=1S/C19H19F3N4O3/c20-14-6-12(7-15(21)18(14)22)24-19(28)25-2-3-26-16(9-25)13(8-23-26)17(27)5-11-1-4-29-10-11/h6-8,11H,1-5,9-10H2,(H,24,28)/t11-/m1/s1
InChIKeyUOCIUPGTEMQNDO-LLVKDONJSA-N
MW408.38 g/mol
LogP2.96
Rot. Bonds4

About 3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 160739871) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID160739871
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(C[C@H]1CCOC1)c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2
InChIInChI=1S/C19H19F3N4O3/c20-14-6-12(7-15(21)18(14)22)24-19(28)25-2-3-26-16(9-25)13(8-23-26)17(27)5-11-1-4-29-10-11/h6-8,11H,1-5,9-10H2,(H,24,28)/t11-/m1/s1
InChIKeyUOCIUPGTEMQNDO-LLVKDONJSA-N
XLogP2.96
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(3,4-difluoro-5-iodophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 146644904
(6S)-6-methyl-3-[2-(3-methyloxetan-3-yl)acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 158463828
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 115646656
5-N-(3,4-difluorophenyl)-3-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 162616186
[5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]methyl acetate
CID 146615118
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484269
N-(4-fluoro-3-methylphenyl)-3-(3-methyl-5-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 145121365
N-(3-chlorophenyl)-3-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483950
N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 126788376
3-cyclopentyl-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483794
1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone
CID 119065386
(6S)-6-methyl-3-(3-oxomorpholin-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483849

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 160739871) is 3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(C[C@H]1CCOC1)c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)CC2.
What is the InChIKey of 3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is UOCIUPGTEMQNDO-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c20-14-6-12(7-15(21)18(14)22)24-19(28)25-2-3-26-16(9-25)13(8-23-26)17(27)5-11-1-4-29-10-11/h6-8,11H,1-5,9-10H2,(H,24,28)/t11-/m1/s1.
What are the key properties of 3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-oxolan-3-yl]acetyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 160739871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).