3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole

C14H22N4 — CID 125406512

IUPAC3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole
SMILESCC(C)(C)C1=NN=C(C2=NN=C(C(C)(C)C)C2)C1
InChIInChI=1S/C14H22N4/c1-13(2,3)11-7-9(15-17-11)10-8-12(18-16-10)14(4,5)6/h7-8H2,1-6H3
InChIKeyBKZOLKONVNWRBC-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.48
Rot. Bonds1

About 3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole

3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole (PubChem CID 125406512) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole.

Molecular Properties

Compound Name3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole
PubChem CID125406512
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole
SMILESCC(C)(C)C1=NN=C(C2=NN=C(C(C)(C)C)C2)C1
InChIInChI=1S/C14H22N4/c1-13(2,3)11-7-9(15-17-11)10-8-12(18-16-10)14(4,5)6/h7-8H2,1-6H3
InChIKeyBKZOLKONVNWRBC-UHFFFAOYSA-N
XLogP3.48
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole?
The IUPAC name of 3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole (CID 125406512) is 3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole.
What is the SMILES notation for 3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole?
The canonical SMILES for 3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole is CC(C)(C)C1=NN=C(C2=NN=C(C(C)(C)C)C2)C1.
What is the InChIKey of 3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole?
The InChIKey is BKZOLKONVNWRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-13(2,3)11-7-9(15-17-11)10-8-12(18-16-10)14(4,5)6/h7-8H2,1-6H3.
What are the key properties of 3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole?
3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole has a molecular weight of 246.36 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(5-tert-butyl-4H-pyrazol-3-yl)-4H-pyrazole is sourced from PubChem (CID 125406512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).