5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C18H22N4O3 — CID 1489927

IUPAC5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CN2CCn3nc(C(=O)NC(C)C)cc3C2=O)cc1
InChIInChI=1S/C18H22N4O3/c1-12(2)19-17(23)15-10-16-18(24)21(8-9-22(16)20-15)11-13-4-6-14(25-3)7-5-13/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,23)
InChIKeyBJWZTJHKNDURSO-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.69
Rot. Bonds5

About 5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 1489927) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID1489927
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CN2CCn3nc(C(=O)NC(C)C)cc3C2=O)cc1
InChIInChI=1S/C18H22N4O3/c1-12(2)19-17(23)15-10-16-18(24)21(8-9-22(16)20-15)11-13-4-6-14(25-3)7-5-13/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,23)
InChIKeyBJWZTJHKNDURSO-UHFFFAOYSA-N
XLogP1.69
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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6-{4-[2-(aminomethyl)phenyl]phenyl}-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
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Pyrazole scaffold, 1b
CID 25218466
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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 1489927) is 5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(CN2CCn3nc(C(=O)NC(C)C)cc3C2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is BJWZTJHKNDURSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(2)19-17(23)15-10-16-18(24)21(8-9-22(16)20-15)11-13-4-6-14(25-3)7-5-13/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,23).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 1489927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).