1-methyl-4-pyrrolidin-2-ylpyrazole

C8H13N3 — CID 25248267

IUPAC1-methyl-4-pyrrolidin-2-ylpyrazole
SMILESCn1cc(C2CCCN2)cn1
InChIInChI=1S/C8H13N3/c1-11-6-7(5-10-11)8-3-2-4-9-8/h5-6,8-9H,2-4H2,1H3
InChIKeyVRQSNISBSWLYIN-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.84
Rot. Bonds1

About 1-methyl-4-pyrrolidin-2-ylpyrazole

1-methyl-4-pyrrolidin-2-ylpyrazole (PubChem CID 25248267) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-methyl-4-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name1-methyl-4-pyrrolidin-2-ylpyrazole
PubChem CID25248267
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-methyl-4-pyrrolidin-2-ylpyrazole
SMILESCn1cc(C2CCCN2)cn1
InChIInChI=1S/C8H13N3/c1-11-6-7(5-10-11)8-3-2-4-9-8/h5-6,8-9H,2-4H2,1H3
InChIKeyVRQSNISBSWLYIN-UHFFFAOYSA-N
XLogP0.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyrrolidin-2-ylpyrazole?
The IUPAC name of 1-methyl-4-pyrrolidin-2-ylpyrazole (CID 25248267) is 1-methyl-4-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 1-methyl-4-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 1-methyl-4-pyrrolidin-2-ylpyrazole is Cn1cc(C2CCCN2)cn1.
What is the InChIKey of 1-methyl-4-pyrrolidin-2-ylpyrazole?
The InChIKey is VRQSNISBSWLYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-6-7(5-10-11)8-3-2-4-9-8/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 1-methyl-4-pyrrolidin-2-ylpyrazole?
1-methyl-4-pyrrolidin-2-ylpyrazole has a molecular weight of 151.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 25248267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).