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

C19H22ClFN6O4S — CID 121484608

IUPACN-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1Cn2ncc(N3CC(NS(C)(=O)=O)CC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H22ClFN6O4S/c1-11-8-27-17(10-25(11)19(29)23-12-3-4-15(21)14(20)5-12)16(7-22-27)26-9-13(6-18(26)28)24-32(2,30)31/h3-5,7,11,13,24H,6,8-10H2,1-2H3,(H,23,29)
InChIKeySLAYSEPDVJJTDV-UHFFFAOYSA-N
MW484.94 g/mol
LogP1.77
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484608) has the molecular formula C19H22ClFN6O4S and a molecular weight of 484.94 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484608
Molecular FormulaC19H22ClFN6O4S
Molecular Weight484.94 g/mol
Exact Mass484.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1Cn2ncc(N3CC(NS(C)(=O)=O)CC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H22ClFN6O4S/c1-11-8-27-17(10-25(11)19(29)23-12-3-4-15(21)14(20)5-12)16(7-22-27)26-9-13(6-18(26)28)24-32(2,30)31/h3-5,7,11,13,24H,6,8-10H2,1-2H3,(H,23,29)
InChIKeySLAYSEPDVJJTDV-UHFFFAOYSA-N
XLogP1.77
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(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
N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-methyl-2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484605
(6S)-N-(3-chloro-4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484191
(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(4-oxo-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484066
(6S)-N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484126
(6S)-N-(3-chloro-4-fluorophenyl)-3-(2-hydroxy-4-methylpyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 166828040
1-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 121484318
methyl 3-[1-[(6S)-6-methyl-5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidin-3-yl]benzoate
CID 134179011
(6S)-6-methyl-3-[2-oxo-4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]pyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 145121443
lithium;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 1-[(6S)-5-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carboxylate;methyl 5-oxopyrrolidine-3-carboxylate;phenyl N-(3-chloro-4-fluorophenyl)carbamate;hydroxide;hydrate
CID 161273019
4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
CID 160999185
(6S)-N-(2-chloro-4-pyridinyl)-6-methyl-3-(3-oxomorpholin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484405

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484608) is N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC1Cn2ncc(N3CC(NS(C)(=O)=O)CC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is SLAYSEPDVJJTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN6O4S/c1-11-8-27-17(10-25(11)19(29)23-12-3-4-15(21)14(20)5-12)16(7-22-27)26-9-13(6-18(26)28)24-32(2,30)31/h3-5,7,11,13,24H,6,8-10H2,1-2H3,(H,23,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 484.94 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)-2-oxopyrrolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).