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

C39H46Cl2F2N12O8S2 — CID 121484607

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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1Cn2ncc(N3CC(N(C)S(C)(=O)=O)CC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.CC1Cn2ncc(N3CC(NS(C)(=O)=O)CC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H24ClFN6O4S.C19H22ClFN6O4S/c1-12-9-28-18(11-26(12)20(30)24-13-4-5-16(22)15(21)6-13)17(8-23-28)27-10-14(7-19(27)29)25(2)33(3,31)32;1-11-8-27-17(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/h4-6,8,12,14H,7,9-11H2,1-3H3,(H,24,30);3-5,7,11,13,24H,6,8-10H2,1-2H3,(H,23,29)
InChIKeyVWQALHYUKQRPMS-UHFFFAOYSA-N
MW983.91 g/mol
LogP3.87
Rot. Bonds8

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)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484607) has the molecular formula C39H46Cl2F2N12O8S2 and a molecular weight of 983.91 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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484607
Molecular FormulaC39H46Cl2F2N12O8S2
Molecular Weight983.91 g/mol
Exact Mass982.23
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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1Cn2ncc(N3CC(N(C)S(C)(=O)=O)CC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.CC1Cn2ncc(N3CC(NS(C)(=O)=O)CC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H24ClFN6O4S.C19H22ClFN6O4S/c1-12-9-28-18(11-26(12)20(30)24-13-4-5-16(22)15(21)6-13)17(8-23-28)27-10-14(7-19(27)29)25(2)33(3,31)32;1-11-8-27-17(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/h4-6,8,12,14H,7,9-11H2,1-3H3,(H,24,30);3-5,7,11,13,24H,6,8-10H2,1-2H3,(H,23,29)
InChIKeyVWQALHYUKQRPMS-UHFFFAOYSA-N
XLogP3.87
TPSA224.49 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.91
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

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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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484607) 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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC1Cn2ncc(N3CC(N(C)S(C)(=O)=O)CC3=O)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is VWQALHYUKQRPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN6O4S.C19H22ClFN6O4S/c1-12-9-28-18(11-26(12)20(30)24-13-4-5-16(22)15(21)6-13)17(8-23-28)27-10-14(7-19(27)29)25(2)33(3,31)32;1-11-8-27-17(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/h4-6,8,12,14H,7,9-11H2,1-3H3,(H,24,30);3-5,7,11,13,24H,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)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 983.91 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 12 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;N-(3-chloro-4-fluorophenyl)-6-methyl-3-[4-[methyl(methylsulfonyl)amino]-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).