1,3,4-tri(propan-2-yl)pyrazole

C12H22N2 — CID 23402671

IUPAC1,3,4-tri(propan-2-yl)pyrazole
SMILESCC(C)c1cn(C(C)C)nc1C(C)C
InChIInChI=1S/C12H22N2/c1-8(2)11-7-14(10(5)6)13-12(11)9(3)4/h7-10H,1-6H3
InChIKeyLEDLZIGPSVCXHV-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.71
Rot. Bonds3

About 1,3,4-tri(propan-2-yl)pyrazole

1,3,4-tri(propan-2-yl)pyrazole (PubChem CID 23402671) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,3,4-tri(propan-2-yl)pyrazole.

Molecular Properties

Compound Name1,3,4-tri(propan-2-yl)pyrazole
PubChem CID23402671
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1,3,4-tri(propan-2-yl)pyrazole
SMILESCC(C)c1cn(C(C)C)nc1C(C)C
InChIInChI=1S/C12H22N2/c1-8(2)11-7-14(10(5)6)13-12(11)9(3)4/h7-10H,1-6H3
InChIKeyLEDLZIGPSVCXHV-UHFFFAOYSA-N
XLogP3.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-tri(propan-2-yl)pyrazole?
The IUPAC name of 1,3,4-tri(propan-2-yl)pyrazole (CID 23402671) is 1,3,4-tri(propan-2-yl)pyrazole.
What is the SMILES notation for 1,3,4-tri(propan-2-yl)pyrazole?
The canonical SMILES for 1,3,4-tri(propan-2-yl)pyrazole is CC(C)c1cn(C(C)C)nc1C(C)C.
What is the InChIKey of 1,3,4-tri(propan-2-yl)pyrazole?
The InChIKey is LEDLZIGPSVCXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-8(2)11-7-14(10(5)6)13-12(11)9(3)4/h7-10H,1-6H3.
What are the key properties of 1,3,4-tri(propan-2-yl)pyrazole?
1,3,4-tri(propan-2-yl)pyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-tri(propan-2-yl)pyrazole is sourced from PubChem (CID 23402671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).