3,5-ditert-butyl-1-propan-2-ylpyrazole

C14H26N2 — CID 2742034

IUPAC3,5-ditert-butyl-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C14H26N2/c1-10(2)16-12(14(6,7)8)9-11(15-16)13(3,4)5/h9-10H,1-8H3
InChIKeyFNSGHCNXPGVXNX-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.06
Rot. Bonds1

About 3,5-ditert-butyl-1-propan-2-ylpyrazole

3,5-ditert-butyl-1-propan-2-ylpyrazole (PubChem CID 2742034) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3,5-ditert-butyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-ditert-butyl-1-propan-2-ylpyrazole
PubChem CID2742034
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3,5-ditert-butyl-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C14H26N2/c1-10(2)16-12(14(6,7)8)9-11(15-16)13(3,4)5/h9-10H,1-8H3
InChIKeyFNSGHCNXPGVXNX-UHFFFAOYSA-N
XLogP4.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-1-propan-2-ylpyrazole?
The IUPAC name of 3,5-ditert-butyl-1-propan-2-ylpyrazole (CID 2742034) is 3,5-ditert-butyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-ditert-butyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3,5-ditert-butyl-1-propan-2-ylpyrazole is CC(C)n1nc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 3,5-ditert-butyl-1-propan-2-ylpyrazole?
The InChIKey is FNSGHCNXPGVXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-10(2)16-12(14(6,7)8)9-11(15-16)13(3,4)5/h9-10H,1-8H3.
What are the key properties of 3,5-ditert-butyl-1-propan-2-ylpyrazole?
3,5-ditert-butyl-1-propan-2-ylpyrazole has a molecular weight of 222.38 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 2742034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).