1-propan-2-yl-4-pyrrolidin-2-ylpyrazole

C10H17N3 — CID 83828132

IUPAC1-propan-2-yl-4-pyrrolidin-2-ylpyrazole
SMILESCC(C)n1cc(C2CCCN2)cn1
InChIInChI=1S/C10H17N3/c1-8(2)13-7-9(6-12-13)10-4-3-5-11-10/h6-8,10-11H,3-5H2,1-2H3
InChIKeyMUYFZWWLQICGQB-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.89
Rot. Bonds2

About 1-propan-2-yl-4-pyrrolidin-2-ylpyrazole

1-propan-2-yl-4-pyrrolidin-2-ylpyrazole (PubChem CID 83828132) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-propan-2-yl-4-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name1-propan-2-yl-4-pyrrolidin-2-ylpyrazole
PubChem CID83828132
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-propan-2-yl-4-pyrrolidin-2-ylpyrazole
SMILESCC(C)n1cc(C2CCCN2)cn1
InChIInChI=1S/C10H17N3/c1-8(2)13-7-9(6-12-13)10-4-3-5-11-10/h6-8,10-11H,3-5H2,1-2H3
InChIKeyMUYFZWWLQICGQB-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-pyrrolidin-2-ylpyrazole?
The IUPAC name of 1-propan-2-yl-4-pyrrolidin-2-ylpyrazole (CID 83828132) is 1-propan-2-yl-4-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 1-propan-2-yl-4-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 1-propan-2-yl-4-pyrrolidin-2-ylpyrazole is CC(C)n1cc(C2CCCN2)cn1.
What is the InChIKey of 1-propan-2-yl-4-pyrrolidin-2-ylpyrazole?
The InChIKey is MUYFZWWLQICGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)13-7-9(6-12-13)10-4-3-5-11-10/h6-8,10-11H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-pyrrolidin-2-ylpyrazole?
1-propan-2-yl-4-pyrrolidin-2-ylpyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 83828132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).