pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone

C11H17N3O — CID 23094799

IUPACpyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCC1
InChIInChI=1S/C11H17N3O/c1-8-10(9(2)13(3)12-8)11(15)14-6-4-5-7-14/h4-7H2,1-3H3
InChIKeyKOGWBOZMXSWFPH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.27
Rot. Bonds1

About pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone

pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 23094799) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID23094799
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Namepyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCCC1
InChIInChI=1S/C11H17N3O/c1-8-10(9(2)13(3)12-8)11(15)14-6-4-5-7-14/h4-7H2,1-3H3
InChIKeyKOGWBOZMXSWFPH-UHFFFAOYSA-N
XLogP1.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 23094799) is pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is KOGWBOZMXSWFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-10(9(2)13(3)12-8)11(15)14-6-4-5-7-14/h4-7H2,1-3H3.
What are the key properties of pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone?
pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 23094799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).