3,4,5-tri(propan-2-yl)-4H-pyrazole

C12H22N2 — CID 89447159

IUPAC3,4,5-tri(propan-2-yl)-4H-pyrazole
SMILESCC(C)C1=NN=C(C(C)C)C1C(C)C
InChIInChI=1S/C12H22N2/c1-7(2)10-11(8(3)4)13-14-12(10)9(5)6/h7-10H,1-6H3
InChIKeyDPLVSQLWDIRFOG-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.38
Rot. Bonds3

About 3,4,5-tri(propan-2-yl)-4H-pyrazole

3,4,5-tri(propan-2-yl)-4H-pyrazole (PubChem CID 89447159) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3,4,5-tri(propan-2-yl)-4H-pyrazole.

Molecular Properties

Compound Name3,4,5-tri(propan-2-yl)-4H-pyrazole
PubChem CID89447159
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3,4,5-tri(propan-2-yl)-4H-pyrazole
SMILESCC(C)C1=NN=C(C(C)C)C1C(C)C
InChIInChI=1S/C12H22N2/c1-7(2)10-11(8(3)4)13-14-12(10)9(5)6/h7-10H,1-6H3
InChIKeyDPLVSQLWDIRFOG-UHFFFAOYSA-N
XLogP3.38
TPSA24.72 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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tri(propan-2-yl)-4H-pyrazole?
The IUPAC name of 3,4,5-tri(propan-2-yl)-4H-pyrazole (CID 89447159) is 3,4,5-tri(propan-2-yl)-4H-pyrazole.
What is the SMILES notation for 3,4,5-tri(propan-2-yl)-4H-pyrazole?
The canonical SMILES for 3,4,5-tri(propan-2-yl)-4H-pyrazole is CC(C)C1=NN=C(C(C)C)C1C(C)C.
What is the InChIKey of 3,4,5-tri(propan-2-yl)-4H-pyrazole?
The InChIKey is DPLVSQLWDIRFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-7(2)10-11(8(3)4)13-14-12(10)9(5)6/h7-10H,1-6H3.
What are the key properties of 3,4,5-tri(propan-2-yl)-4H-pyrazole?
3,4,5-tri(propan-2-yl)-4H-pyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tri(propan-2-yl)-4H-pyrazole is sourced from PubChem (CID 89447159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).