1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

C18H26N6O2 — CID 77093946

IUPAC1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCCCN2CCCC2=O)n(C)n1
InChIInChI=1S/C18H26N6O2/c1-12-17(13(2)22(3)20-12)14-11-15(23(4)21-14)18(26)19-8-6-10-24-9-5-7-16(24)25/h11H,5-10H2,1-4H3,(H,19,26)
InChIKeyYJMCYCAIOJGEGT-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.18
Rot. Bonds6

About 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (PubChem CID 77093946) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
PubChem CID77093946
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCCCN2CCCC2=O)n(C)n1
InChIInChI=1S/C18H26N6O2/c1-12-17(13(2)22(3)20-12)14-11-15(23(4)21-14)18(26)19-8-6-10-24-9-5-7-16(24)25/h11H,5-10H2,1-4H3,(H,19,26)
InChIKeyYJMCYCAIOJGEGT-UHFFFAOYSA-N
XLogP1.18
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (CID 77093946) is 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NCCCN2CCCC2=O)n(C)n1.
What is the InChIKey of 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is YJMCYCAIOJGEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12-17(13(2)22(3)20-12)14-11-15(23(4)21-14)18(26)19-8-6-10-24-9-5-7-16(24)25/h11H,5-10H2,1-4H3,(H,19,26).
What are the key properties of 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 77093946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).