5-(pyrazolidin-1-ylmethyl)-1H-imidazole

C7H12N4 — CID 130856083

IUPAC5-(pyrazolidin-1-ylmethyl)-1H-imidazole
SMILESc1ncc(CN2CCCN2)[nH]1
InChIInChI=1S/C7H12N4/c1-2-10-11(3-1)5-7-4-8-6-9-7/h4,6,10H,1-3,5H2,(H,8,9)
InChIKeyRPBQBNFRQRDDFM-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.12
Rot. Bonds2

About 5-(pyrazolidin-1-ylmethyl)-1H-imidazole

5-(pyrazolidin-1-ylmethyl)-1H-imidazole (PubChem CID 130856083) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-(pyrazolidin-1-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(pyrazolidin-1-ylmethyl)-1H-imidazole
PubChem CID130856083
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-(pyrazolidin-1-ylmethyl)-1H-imidazole
SMILESc1ncc(CN2CCCN2)[nH]1
InChIInChI=1S/C7H12N4/c1-2-10-11(3-1)5-7-4-8-6-9-7/h4,6,10H,1-3,5H2,(H,8,9)
InChIKeyRPBQBNFRQRDDFM-UHFFFAOYSA-N
XLogP0.12
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrazolidin-1-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(pyrazolidin-1-ylmethyl)-1H-imidazole (CID 130856083) is 5-(pyrazolidin-1-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(pyrazolidin-1-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(pyrazolidin-1-ylmethyl)-1H-imidazole is c1ncc(CN2CCCN2)[nH]1.
What is the InChIKey of 5-(pyrazolidin-1-ylmethyl)-1H-imidazole?
The InChIKey is RPBQBNFRQRDDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-2-10-11(3-1)5-7-4-8-6-9-7/h4,6,10H,1-3,5H2,(H,8,9).
What are the key properties of 5-(pyrazolidin-1-ylmethyl)-1H-imidazole?
5-(pyrazolidin-1-ylmethyl)-1H-imidazole has a molecular weight of 152.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazolidin-1-ylmethyl)-1H-imidazole is sourced from PubChem (CID 130856083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).