3-tert-butyl-5-methyl-4H-pyrazole

C8H14N2 — CID 59587710

IUPAC3-tert-butyl-5-methyl-4H-pyrazole
SMILESCC1=NN=C(C(C)(C)C)C1
InChIInChI=1S/C8H14N2/c1-6-5-7(10-9-6)8(2,3)4/h5H2,1-4H3
InChIKeyHVUFYEYMSKVFHV-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.25
Rot. Bonds

About 3-tert-butyl-5-methyl-4H-pyrazole

3-tert-butyl-5-methyl-4H-pyrazole (PubChem CID 59587710) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-4H-pyrazole.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-4H-pyrazole
PubChem CID59587710
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-tert-butyl-5-methyl-4H-pyrazole
SMILESCC1=NN=C(C(C)(C)C)C1
InChIInChI=1S/C8H14N2/c1-6-5-7(10-9-6)8(2,3)4/h5H2,1-4H3
InChIKeyHVUFYEYMSKVFHV-UHFFFAOYSA-N
XLogP2.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-4H-pyrazole?
The IUPAC name of 3-tert-butyl-5-methyl-4H-pyrazole (CID 59587710) is 3-tert-butyl-5-methyl-4H-pyrazole.
What is the SMILES notation for 3-tert-butyl-5-methyl-4H-pyrazole?
The canonical SMILES for 3-tert-butyl-5-methyl-4H-pyrazole is CC1=NN=C(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-5-methyl-4H-pyrazole?
The InChIKey is HVUFYEYMSKVFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-5-7(10-9-6)8(2,3)4/h5H2,1-4H3.
What are the key properties of 3-tert-butyl-5-methyl-4H-pyrazole?
3-tert-butyl-5-methyl-4H-pyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-4H-pyrazole is sourced from PubChem (CID 59587710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).