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

C18H21FN4O2 — CID 24715546

IUPACN-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2n(n1)CCN(Cc1ccccc1F)C2=O
InChIInChI=1S/C18H21FN4O2/c1-3-12(2)20-17(24)15-10-16-18(25)22(8-9-23(16)21-15)11-13-6-4-5-7-14(13)19/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,24)
InChIKeyRDJUZAOAFJIJPT-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.21
Rot. Bonds5

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

N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 24715546) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID24715546
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2n(n1)CCN(Cc1ccccc1F)C2=O
InChIInChI=1S/C18H21FN4O2/c1-3-12(2)20-17(24)15-10-16-18(25)22(8-9-23(16)21-15)11-13-6-4-5-7-14(13)19/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,24)
InChIKeyRDJUZAOAFJIJPT-UHFFFAOYSA-N
XLogP2.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24716003
N-[(1R)-1,2-diphenylethyl]-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93006117
N-cyclohexyl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077194
5-[(2-fluorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876400
N-butan-2-yl-5-[(4-chlorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50797863
5-[(2,6-dichlorophenyl)methyl]-4-oxo-N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93006238
5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077090
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077212
2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 42875198
5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46078746
5-[(2-chloro-6-fluorophenyl)methyl]-N-ethoxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077412
N-benzyl-5-[(2-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077529

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 24715546) is N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CCC(C)NC(=O)c1cc2n(n1)CCN(Cc1ccccc1F)C2=O.
What is the InChIKey of N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is RDJUZAOAFJIJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-3-12(2)20-17(24)15-10-16-18(25)22(8-9-23(16)21-15)11-13-6-4-5-7-14(13)19/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,24).
What are the key properties of N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 24715546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).