4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C18H18N4O3 — CID 91919207

IUPAC4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2c(=O)[nH]c(-c3ccccc3)cn2n1
InChIInChI=1S/C18H18N4O3/c23-17(19-10-13-7-4-8-25-13)14-9-16-18(24)20-15(11-22(16)21-14)12-5-2-1-3-6-12/h1-3,5-6,9,11,13H,4,7-8,10H2,(H,19,23)(H,20,24)
InChIKeyWNOPWXGSOCKIOR-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.60
Rot. Bonds4

About 4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91919207) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91919207
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2c(=O)[nH]c(-c3ccccc3)cn2n1
InChIInChI=1S/C18H18N4O3/c23-17(19-10-13-7-4-8-25-13)14-9-16-18(24)20-15(11-22(16)21-14)12-5-2-1-3-6-12/h1-3,5-6,9,11,13H,4,7-8,10H2,(H,19,23)(H,20,24)
InChIKeyWNOPWXGSOCKIOR-UHFFFAOYSA-N
XLogP1.60
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
6-(4-fluorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95554649
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
2-oxo-N-[2-[(2R)-oxolan-2-yl]ethyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95976361
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-[[(2S)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94184886
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91919207) is 4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NCC1CCCO1)c1cc2c(=O)[nH]c(-c3ccccc3)cn2n1.
What is the InChIKey of 4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is WNOPWXGSOCKIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-17(19-10-13-7-4-8-25-13)14-9-16-18(24)20-15(11-22(16)21-14)12-5-2-1-3-6-12/h1-3,5-6,9,11,13H,4,7-8,10H2,(H,19,23)(H,20,24).
What are the key properties of 4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(oxolan-2-ylmethyl)-6-phenyl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91919207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).