1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole

C17H20N8 — CID 101354097

IUPAC1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole
SMILESc1cnn(C(CCCC(n2cccn2)n2cccn2)n2cccn2)c1
InChIInChI=1S/C17H20N8/c1(6-16(22-12-2-8-18-22)23-13-3-9-19-23)7-17(24-14-4-10-20-24)25-15-5-11-21-25/h2-5,8-17H,1,6-7H2
InChIKeyBKMGHYXDHCSXFE-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.44
Rot. Bonds8

About 1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole

1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole (PubChem CID 101354097) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole.

Molecular Properties

Compound Name1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole
PubChem CID101354097
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole
SMILESc1cnn(C(CCCC(n2cccn2)n2cccn2)n2cccn2)c1
InChIInChI=1S/C17H20N8/c1(6-16(22-12-2-8-18-22)23-13-3-9-19-23)7-17(24-14-4-10-20-24)25-15-5-11-21-25/h2-5,8-17H,1,6-7H2
InChIKeyBKMGHYXDHCSXFE-UHFFFAOYSA-N
XLogP2.44
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole?
The IUPAC name of 1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole (CID 101354097) is 1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole.
What is the SMILES notation for 1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole?
The canonical SMILES for 1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole is c1cnn(C(CCCC(n2cccn2)n2cccn2)n2cccn2)c1.
What is the InChIKey of 1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole?
The InChIKey is BKMGHYXDHCSXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1(6-16(22-12-2-8-18-22)23-13-3-9-19-23)7-17(24-14-4-10-20-24)25-15-5-11-21-25/h2-5,8-17H,1,6-7H2.
What are the key properties of 1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole?
1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole has a molecular weight of 336.40 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5,5-tri(pyrazol-1-yl)pentyl]pyrazole is sourced from PubChem (CID 101354097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).