5-(2,2-dimethylpropyl)-3H-pyrazole

C8H14N2 — CID 58391558

IUPAC5-(2,2-dimethylpropyl)-3H-pyrazole
SMILESCC(C)(C)CC1=CCN=N1
InChIInChI=1S/C8H14N2/c1-8(2,3)6-7-4-5-9-10-7/h4H,5-6H2,1-3H3
InChIKeyHQMPVCMAICFTGF-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.77
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-3H-pyrazole

5-(2,2-dimethylpropyl)-3H-pyrazole (PubChem CID 58391558) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3H-pyrazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3H-pyrazole
PubChem CID58391558
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name5-(2,2-dimethylpropyl)-3H-pyrazole
SMILESCC(C)(C)CC1=CCN=N1
InChIInChI=1S/C8H14N2/c1-8(2,3)6-7-4-5-9-10-7/h4H,5-6H2,1-3H3
InChIKeyHQMPVCMAICFTGF-UHFFFAOYSA-N
XLogP2.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3H-pyrazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-3H-pyrazole (CID 58391558) is 5-(2,2-dimethylpropyl)-3H-pyrazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3H-pyrazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3H-pyrazole is CC(C)(C)CC1=CCN=N1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3H-pyrazole?
The InChIKey is HQMPVCMAICFTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2,3)6-7-4-5-9-10-7/h4H,5-6H2,1-3H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3H-pyrazole?
5-(2,2-dimethylpropyl)-3H-pyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3H-pyrazole is sourced from PubChem (CID 58391558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).