(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H21ClFN5O4S — CID 121484451

About (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484451) has the molecular formula C19H21ClFN5O4S and a molecular weight of 469.93 g/mol. Its IUPAC name is (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 121484451
• Molecular Formula: C19H21ClFN5O4S
• Molecular Weight: 469.93 g/mol
• Exact Mass: 469.10
• IUPAC Name: (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: C[C@H]1Cn2ncc(N3CC(S(C)(=O)=O)CC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
• InChI: InChI=1S/C19H21ClFN5O4S/c1-11-8-26-17(10-24(11)19(28)23-12-3-4-15(21)14(20)5-12)16(7-22-26)25-9-13(6-18(25)27)31(2,29)30/h3-5,7,11,13H,6,8-10H2,1-2H3,(H,23,28)/t11-,13?/m0/s1
• InChIKey: ROAQRRIJSUWMKJ-AMGKYWFPSA-N
• XLogP: 2.26
• TPSA: 104.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.93
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484451) is (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CC(S(C)(=O)=O)CC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.

What is the InChIKey of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is ROAQRRIJSUWMKJ-AMGKYWFPSA-N. The full InChI is InChI=1S/C19H21ClFN5O4S/c1-11-8-26-17(10-24(11)19(28)23-12-3-4-15(21)14(20)5-12)16(7-22-26)25-9-13(6-18(25)27)31(2,29)30/h3-5,7,11,13H,6,8-10H2,1-2H3,(H,23,28)/t11-,13?/m0/s1.

What are the key properties of (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 469.93 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methylsulfonyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).