2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C24H20FN5O3 — CID 160863514

IUPAC2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Cc1ccc(-c3ncco3)cc1)CC2
InChIInChI=1S/C24H20FN5O3/c25-18-3-1-2-17(13-18)22-21(23(26)32)19-14-29(9-10-30(19)28-22)20(31)12-15-4-6-16(7-5-15)24-27-8-11-33-24/h1-8,11,13H,9-10,12,14H2,(H2,26,32)
InChIKeySKUMCUMYSBKRFQ-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.03
Rot. Bonds5

About 2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 160863514) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID160863514
Molecular FormulaC24H20FN5O3
Molecular Weight445.45 g/mol
Exact Mass445.16
IUPAC Name2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Cc1ccc(-c3ncco3)cc1)CC2
InChIInChI=1S/C24H20FN5O3/c25-18-3-1-2-17(13-18)22-21(23(26)32)19-14-29(9-10-30(19)28-22)20(31)12-15-4-6-16(7-5-15)24-27-8-11-33-24/h1-8,11,13H,9-10,12,14H2,(H2,26,32)
InChIKeySKUMCUMYSBKRFQ-UHFFFAOYSA-N
XLogP3.03
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 160863514) is 2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is NC(=O)c1c(-c2cccc(F)c2)nn2c1CN(C(=O)Cc1ccc(-c3ncco3)cc1)CC2.
What is the InChIKey of 2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is SKUMCUMYSBKRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3/c25-18-3-1-2-17(13-18)22-21(23(26)32)19-14-29(9-10-30(19)28-22)20(31)12-15-4-6-16(7-5-15)24-27-8-11-33-24/h1-8,11,13H,9-10,12,14H2,(H2,26,32).
What are the key properties of 2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-[2-[4-(1,3-oxazol-2-yl)phenyl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 160863514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).