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

C18H20N4O3 — CID 3780243

IUPACN-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CN2CCn3nc(C(=O)NC4CC4)cc3C2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-25-14-6-2-12(3-7-14)11-21-8-9-22-16(18(21)24)10-15(20-22)17(23)19-13-4-5-13/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3,(H,19,23)
InChIKeyJQRQXQMBHSHZFP-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.44
Rot. Bonds5

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

N-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 3780243) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID3780243
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CN2CCn3nc(C(=O)NC4CC4)cc3C2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-25-14-6-2-12(3-7-14)11-21-8-9-22-16(18(21)24)10-15(20-22)17(23)19-13-4-5-13/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3,(H,19,23)
InChIKeyJQRQXQMBHSHZFP-UHFFFAOYSA-N
XLogP1.44
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 3780243) is N-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(CN2CCn3nc(C(=O)NC4CC4)cc3C2=O)cc1.
What is the InChIKey of N-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is JQRQXQMBHSHZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-14-6-2-12(3-7-14)11-21-8-9-22-16(18(21)24)10-15(20-22)17(23)19-13-4-5-13/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3,(H,19,23).
What are the key properties of N-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 3780243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).