1-(2-imidazol-1-ylpropyl)pyrazole

C9H12N4 — CID 57245568

IUPAC1-(2-imidazol-1-ylpropyl)pyrazole
SMILESCC(Cn1cccn1)n1ccnc1
InChIInChI=1S/C9H12N4/c1-9(12-6-4-10-8-12)7-13-5-2-3-11-13/h2-6,8-9H,7H2,1H3
InChIKeySDEJVROFPARMOX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.34
Rot. Bonds3

About 1-(2-imidazol-1-ylpropyl)pyrazole

1-(2-imidazol-1-ylpropyl)pyrazole (PubChem CID 57245568) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylpropyl)pyrazole.

Molecular Properties

Compound Name1-(2-imidazol-1-ylpropyl)pyrazole
PubChem CID57245568
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-(2-imidazol-1-ylpropyl)pyrazole
SMILESCC(Cn1cccn1)n1ccnc1
InChIInChI=1S/C9H12N4/c1-9(12-6-4-10-8-12)7-13-5-2-3-11-13/h2-6,8-9H,7H2,1H3
InChIKeySDEJVROFPARMOX-UHFFFAOYSA-N
XLogP1.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylpropyl)pyrazole?
The IUPAC name of 1-(2-imidazol-1-ylpropyl)pyrazole (CID 57245568) is 1-(2-imidazol-1-ylpropyl)pyrazole.
What is the SMILES notation for 1-(2-imidazol-1-ylpropyl)pyrazole?
The canonical SMILES for 1-(2-imidazol-1-ylpropyl)pyrazole is CC(Cn1cccn1)n1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylpropyl)pyrazole?
The InChIKey is SDEJVROFPARMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-9(12-6-4-10-8-12)7-13-5-2-3-11-13/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-(2-imidazol-1-ylpropyl)pyrazole?
1-(2-imidazol-1-ylpropyl)pyrazole has a molecular weight of 176.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylpropyl)pyrazole is sourced from PubChem (CID 57245568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).