5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole

C10H16N2 — CID 118259104

IUPAC5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C10H16N2/c1-7(2)8-6-9(12-11-8)10(3,4)5/h6H,1H2,2-5H3,(H,11,12)
InChIKeyAVCQXXITAPHYTG-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.74
Rot. Bonds1

About 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole

5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole (PubChem CID 118259104) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole
PubChem CID118259104
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C10H16N2/c1-7(2)8-6-9(12-11-8)10(3,4)5/h6H,1H2,2-5H3,(H,11,12)
InChIKeyAVCQXXITAPHYTG-UHFFFAOYSA-N
XLogP2.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole?
The IUPAC name of 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole (CID 118259104) is 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole.
What is the SMILES notation for 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole?
The canonical SMILES for 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole is C=C(C)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole?
The InChIKey is AVCQXXITAPHYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)8-6-9(12-11-8)10(3,4)5/h6H,1H2,2-5H3,(H,11,12).
What are the key properties of 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole?
5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole is sourced from PubChem (CID 118259104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).