1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide

C18H24F2N6O2 — CID 164640012

IUPAC1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(CC(F)F)cc1C(=O)NC[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C
InChIInChI=1S/C18H24F2N6O2/c1-10-14(8-26(23-10)9-15(19)20)18(28)21-6-12-5-16(27)24(3)17(12)13-7-22-25(4)11(13)2/h7-8,12,15,17H,5-6,9H2,1-4H3,(H,21,28)/t12-,17+/m1/s1
InChIKeyQUZRMKGHOFPWFM-PXAZEXFGSA-N
MW394.43 g/mol
LogP1.45
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide

1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 164640012) has the molecular formula C18H24F2N6O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide
PubChem CID164640012
Molecular FormulaC18H24F2N6O2
Molecular Weight394.43 g/mol
Exact Mass394.19
IUPAC Name1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(CC(F)F)cc1C(=O)NC[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C
InChIInChI=1S/C18H24F2N6O2/c1-10-14(8-26(23-10)9-15(19)20)18(28)21-6-12-5-16(27)24(3)17(12)13-7-22-25(4)11(13)2/h7-8,12,15,17H,5-6,9H2,1-4H3,(H,21,28)/t12-,17+/m1/s1
InChIKeyQUZRMKGHOFPWFM-PXAZEXFGSA-N
XLogP1.45
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide (CID 164640012) is 1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide is Cc1nn(CC(F)F)cc1C(=O)NC[C@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is QUZRMKGHOFPWFM-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H24F2N6O2/c1-10-14(8-26(23-10)9-15(19)20)18(28)21-6-12-5-16(27)24(3)17(12)13-7-22-25(4)11(13)2/h7-8,12,15,17H,5-6,9H2,1-4H3,(H,21,28)/t12-,17+/m1/s1.
What are the key properties of 1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide?
1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 164640012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).