1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine

C15H26N4 — CID 91921465

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine
SMILESCc1cc(CN2CCC(C3CCNC3)CC2)n(C)n1
InChIInChI=1S/C15H26N4/c1-12-9-15(18(2)17-12)11-19-7-4-13(5-8-19)14-3-6-16-10-14/h9,13-14,16H,3-8,10-11H2,1-2H3
InChIKeyBAPPFUYNOCDJJJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.55
Rot. Bonds3

About 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine

1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine (PubChem CID 91921465) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine
PubChem CID91921465
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine
SMILESCc1cc(CN2CCC(C3CCNC3)CC2)n(C)n1
InChIInChI=1S/C15H26N4/c1-12-9-15(18(2)17-12)11-19-7-4-13(5-8-19)14-3-6-16-10-14/h9,13-14,16H,3-8,10-11H2,1-2H3
InChIKeyBAPPFUYNOCDJJJ-UHFFFAOYSA-N
XLogP1.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine (CID 91921465) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine is Cc1cc(CN2CCC(C3CCNC3)CC2)n(C)n1.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine?
The InChIKey is BAPPFUYNOCDJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-9-15(18(2)17-12)11-19-7-4-13(5-8-19)14-3-6-16-10-14/h9,13-14,16H,3-8,10-11H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine has a molecular weight of 262.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 91921465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).