1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole

C11H19N3 — CID 112757904

IUPAC1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole
SMILESCC(C)Cn1cc(C2CCCN2)cn1
InChIInChI=1S/C11H19N3/c1-9(2)7-14-8-10(6-13-14)11-4-3-5-12-11/h6,8-9,11-12H,3-5,7H2,1-2H3
InChIKeyGHZGDSUZYMCLOS-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.96
Rot. Bonds3

About 1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole

1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole (PubChem CID 112757904) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole
PubChem CID112757904
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole
SMILESCC(C)Cn1cc(C2CCCN2)cn1
InChIInChI=1S/C11H19N3/c1-9(2)7-14-8-10(6-13-14)11-4-3-5-12-11/h6,8-9,11-12H,3-5,7H2,1-2H3
InChIKeyGHZGDSUZYMCLOS-UHFFFAOYSA-N
XLogP1.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole?
The IUPAC name of 1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole (CID 112757904) is 1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole is CC(C)Cn1cc(C2CCCN2)cn1.
What is the InChIKey of 1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole?
The InChIKey is GHZGDSUZYMCLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(2)7-14-8-10(6-13-14)11-4-3-5-12-11/h6,8-9,11-12H,3-5,7H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole?
1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole has a molecular weight of 193.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 112757904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).