1-[tri(pyrazol-1-yl)methyl]pyrazole

C13H12N8 — CID 13380997

IUPAC1-[tri(pyrazol-1-yl)methyl]pyrazole
SMILESc1cnn(C(n2cccn2)(n2cccn2)n2cccn2)c1
InChIInChI=1S/C13H12N8/c1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21/h1-12H
InChIKeyBJCJTJSHONOKPA-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.69
Rot. Bonds4

About 1-[tri(pyrazol-1-yl)methyl]pyrazole

1-[tri(pyrazol-1-yl)methyl]pyrazole (PubChem CID 13380997) has the molecular formula C13H12N8 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[tri(pyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-[tri(pyrazol-1-yl)methyl]pyrazole
PubChem CID13380997
Molecular FormulaC13H12N8
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-[tri(pyrazol-1-yl)methyl]pyrazole
SMILESc1cnn(C(n2cccn2)(n2cccn2)n2cccn2)c1
InChIInChI=1S/C13H12N8/c1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21/h1-12H
InChIKeyBJCJTJSHONOKPA-UHFFFAOYSA-N
XLogP0.69
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[tri(pyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 1-[tri(pyrazol-1-yl)methyl]pyrazole (CID 13380997) is 1-[tri(pyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-[tri(pyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 1-[tri(pyrazol-1-yl)methyl]pyrazole is c1cnn(C(n2cccn2)(n2cccn2)n2cccn2)c1.
What is the InChIKey of 1-[tri(pyrazol-1-yl)methyl]pyrazole?
The InChIKey is BJCJTJSHONOKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8/c1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21/h1-12H.
What are the key properties of 1-[tri(pyrazol-1-yl)methyl]pyrazole?
1-[tri(pyrazol-1-yl)methyl]pyrazole has a molecular weight of 280.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tri(pyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 13380997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).