1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide

C18H22N4O2 — CID 47043440

IUPAC1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(CN2CCCC2=O)c2ccccc2)cnn1C
InChIInChI=1S/C18H22N4O2/c1-13-15(11-19-21(13)2)18(24)20-16(14-7-4-3-5-8-14)12-22-10-6-9-17(22)23/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H,20,24)
InChIKeyMDSXJEWNICLQLY-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.82
Rot. Bonds5

About 1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide (PubChem CID 47043440) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide
PubChem CID47043440
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(CN2CCCC2=O)c2ccccc2)cnn1C
InChIInChI=1S/C18H22N4O2/c1-13-15(11-19-21(13)2)18(24)20-16(14-7-4-3-5-8-14)12-22-10-6-9-17(22)23/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H,20,24)
InChIKeyMDSXJEWNICLQLY-UHFFFAOYSA-N
XLogP1.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide (CID 47043440) is 1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide is Cc1c(C(=O)NC(CN2CCCC2=O)c2ccccc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide?
The InChIKey is MDSXJEWNICLQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-15(11-19-21(13)2)18(24)20-16(14-7-4-3-5-8-14)12-22-10-6-9-17(22)23/h3-5,7-8,11,16H,6,9-10,12H2,1-2H3,(H,20,24).
What are the key properties of 1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 47043440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).