4-tert-butyl-1H-pyrazole;ethane

C9H18N2 — CID 142062876

IUPAC4-tert-butyl-1H-pyrazole;ethane
SMILESCC.CC(C)(C)c1cn[nH]c1
InChIInChI=1S/C7H12N2.C2H6/c1-7(2,3)6-4-8-9-5-6;1-2/h4-5H,1-3H3,(H,8,9);1-2H3
InChIKeyGFFQIINPNBDJRV-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.73
Rot. Bonds

About 4-tert-butyl-1H-pyrazole;ethane

4-tert-butyl-1H-pyrazole;ethane (PubChem CID 142062876) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-tert-butyl-1H-pyrazole;ethane.

Molecular Properties

Compound Name4-tert-butyl-1H-pyrazole;ethane
PubChem CID142062876
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-tert-butyl-1H-pyrazole;ethane
SMILESCC.CC(C)(C)c1cn[nH]c1
InChIInChI=1S/C7H12N2.C2H6/c1-7(2,3)6-4-8-9-5-6;1-2/h4-5H,1-3H3,(H,8,9);1-2H3
InChIKeyGFFQIINPNBDJRV-UHFFFAOYSA-N
XLogP2.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-pyrazole;ethane?
The IUPAC name of 4-tert-butyl-1H-pyrazole;ethane (CID 142062876) is 4-tert-butyl-1H-pyrazole;ethane.
What is the SMILES notation for 4-tert-butyl-1H-pyrazole;ethane?
The canonical SMILES for 4-tert-butyl-1H-pyrazole;ethane is CC.CC(C)(C)c1cn[nH]c1.
What is the InChIKey of 4-tert-butyl-1H-pyrazole;ethane?
The InChIKey is GFFQIINPNBDJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-7(2,3)6-4-8-9-5-6;1-2/h4-5H,1-3H3,(H,8,9);1-2H3.
What are the key properties of 4-tert-butyl-1H-pyrazole;ethane?
4-tert-butyl-1H-pyrazole;ethane has a molecular weight of 154.26 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-pyrazole;ethane is sourced from PubChem (CID 142062876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).