N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C17H23N7O2 — CID 91773716

IUPACN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCn1c(Cn2cccn2)nnc1C1CC(NC(=O)CN2CCCC2=O)C1
InChIInChI=1S/C17H23N7O2/c1-22-14(10-24-7-3-5-18-24)20-21-17(22)12-8-13(9-12)19-15(25)11-23-6-2-4-16(23)26/h3,5,7,12-13H,2,4,6,8-11H2,1H3,(H,19,25)
InChIKeyZIVPFNNWJLYGFG-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.04
Rot. Bonds6

About N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 91773716) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID91773716
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC NameN-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCn1c(Cn2cccn2)nnc1C1CC(NC(=O)CN2CCCC2=O)C1
InChIInChI=1S/C17H23N7O2/c1-22-14(10-24-7-3-5-18-24)20-21-17(22)12-8-13(9-12)19-15(25)11-23-6-2-4-16(23)26/h3,5,7,12-13H,2,4,6,8-11H2,1H3,(H,19,25)
InChIKeyZIVPFNNWJLYGFG-UHFFFAOYSA-N
XLogP0.04
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 91773716) is N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide is Cn1c(Cn2cccn2)nnc1C1CC(NC(=O)CN2CCCC2=O)C1.
What is the InChIKey of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is ZIVPFNNWJLYGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-22-14(10-24-7-3-5-18-24)20-21-17(22)12-8-13(9-12)19-15(25)11-23-6-2-4-16(23)26/h3,5,7,12-13H,2,4,6,8-11H2,1H3,(H,19,25).
What are the key properties of N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 357.42 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 91773716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).