N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C21H21FN4O — CID 121483880

IUPACN-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1Cn2ncc(-c3ccc(F)cc3)c2CN1C(=O)NCc1ccccc1
InChIInChI=1S/C21H21FN4O/c1-15-13-26-20(19(12-24-26)17-7-9-18(22)10-8-17)14-25(15)21(27)23-11-16-5-3-2-4-6-16/h2-10,12,15H,11,13-14H2,1H3,(H,23,27)
InChIKeyQONXZYCXONULNE-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.80
Rot. Bonds3

About N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121483880) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121483880
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1Cn2ncc(-c3ccc(F)cc3)c2CN1C(=O)NCc1ccccc1
InChIInChI=1S/C21H21FN4O/c1-15-13-26-20(19(12-24-26)17-7-9-18(22)10-8-17)14-25(15)21(27)23-11-16-5-3-2-4-6-16/h2-10,12,15H,11,13-14H2,1H3,(H,23,27)
InChIKeyQONXZYCXONULNE-UHFFFAOYSA-N
XLogP3.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121483880) is N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC1Cn2ncc(-c3ccc(F)cc3)c2CN1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is QONXZYCXONULNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15-13-26-20(19(12-24-26)17-7-9-18(22)10-8-17)14-25(15)21(27)23-11-16-5-3-2-4-6-16/h2-10,12,15H,11,13-14H2,1H3,(H,23,27).
What are the key properties of N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121483880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).