2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H18ClFN4O — CID 118575051

IUPAC2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN(Cc1cc2n(n1)CCN(c1ccc(F)cc1)C2=O)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClFN4O/c1-24(18-4-2-3-14(21)11-18)13-16-12-19-20(27)25(9-10-26(19)23-16)17-7-5-15(22)6-8-17/h2-8,11-12H,9-10,13H2,1H3
InChIKeyMYJJIUFGQCSIDV-UHFFFAOYSA-N
MW384.84 g/mol
LogP3.97
Rot. Bonds4

About 2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118575051) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118575051
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN(Cc1cc2n(n1)CCN(c1ccc(F)cc1)C2=O)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClFN4O/c1-24(18-4-2-3-14(21)11-18)13-16-12-19-20(27)25(9-10-26(19)23-16)17-7-5-15(22)6-8-17/h2-8,11-12H,9-10,13H2,1H3
InChIKeyMYJJIUFGQCSIDV-UHFFFAOYSA-N
XLogP3.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118575051) is 2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN(Cc1cc2n(n1)CCN(c1ccc(F)cc1)C2=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MYJJIUFGQCSIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-24(18-4-2-3-14(21)11-18)13-16-12-19-20(27)25(9-10-26(19)23-16)17-7-5-15(22)6-8-17/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 384.84 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-N-methylanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118575051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).