1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole

C12H20N4 — CID 105476564

IUPAC1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole
SMILESCN1CCC(n2cc(C3CCNC3)cn2)C1
InChIInChI=1S/C12H20N4/c1-15-5-3-12(9-15)16-8-11(7-14-16)10-2-4-13-6-10/h7-8,10,12-13H,2-6,9H2,1H3
InChIKeyMNTFZARTAXLSFU-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.84
Rot. Bonds2

About 1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole

1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole (PubChem CID 105476564) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole
PubChem CID105476564
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole
SMILESCN1CCC(n2cc(C3CCNC3)cn2)C1
InChIInChI=1S/C12H20N4/c1-15-5-3-12(9-15)16-8-11(7-14-16)10-2-4-13-6-10/h7-8,10,12-13H,2-6,9H2,1H3
InChIKeyMNTFZARTAXLSFU-UHFFFAOYSA-N
XLogP0.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole (CID 105476564) is 1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole is CN1CCC(n2cc(C3CCNC3)cn2)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole?
The InChIKey is MNTFZARTAXLSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-15-5-3-12(9-15)16-8-11(7-14-16)10-2-4-13-6-10/h7-8,10,12-13H,2-6,9H2,1H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole?
1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole has a molecular weight of 220.32 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 105476564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).