1-pyrrolidin-3-ylpyrazole

C7H11N3 — CID 46318284

IUPAC1-pyrrolidin-3-ylpyrazole
SMILESc1cnn(C2CCNC2)c1
InChIInChI=1S/C7H11N3/c1-3-9-10(5-1)7-2-4-8-6-7/h1,3,5,7-8H,2,4,6H2
InChIKeyZUZKWDPTWJFIPQ-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.42
Rot. Bonds1

About 1-pyrrolidin-3-ylpyrazole

1-pyrrolidin-3-ylpyrazole (PubChem CID 46318284) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name1-pyrrolidin-3-ylpyrazole
PubChem CID46318284
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-pyrrolidin-3-ylpyrazole
SMILESc1cnn(C2CCNC2)c1
InChIInChI=1S/C7H11N3/c1-3-9-10(5-1)7-2-4-8-6-7/h1,3,5,7-8H,2,4,6H2
InChIKeyZUZKWDPTWJFIPQ-UHFFFAOYSA-N
XLogP0.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylpyrazole?
The IUPAC name of 1-pyrrolidin-3-ylpyrazole (CID 46318284) is 1-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 1-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 1-pyrrolidin-3-ylpyrazole is c1cnn(C2CCNC2)c1.
What is the InChIKey of 1-pyrrolidin-3-ylpyrazole?
The InChIKey is ZUZKWDPTWJFIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-9-10(5-1)7-2-4-8-6-7/h1,3,5,7-8H,2,4,6H2.
What are the key properties of 1-pyrrolidin-3-ylpyrazole?
1-pyrrolidin-3-ylpyrazole has a molecular weight of 137.19 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 46318284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).