5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole

C11H20N2 — CID 59743848

IUPAC5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cc(CC(C)(C)C)[nH]n1
InChIInChI=1S/C11H20N2/c1-8(2)10-6-9(12-13-10)7-11(3,4)5/h6,8H,7H2,1-5H3,(H,12,13)
InChIKeyWGTZLNWNVKVHEW-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.12
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole

5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole (PubChem CID 59743848) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole
PubChem CID59743848
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cc(CC(C)(C)C)[nH]n1
InChIInChI=1S/C11H20N2/c1-8(2)10-6-9(12-13-10)7-11(3,4)5/h6,8H,7H2,1-5H3,(H,12,13)
InChIKeyWGTZLNWNVKVHEW-UHFFFAOYSA-N
XLogP3.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole (CID 59743848) is 5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole is CC(C)c1cc(CC(C)(C)C)[nH]n1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole?
The InChIKey is WGTZLNWNVKVHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)10-6-9(12-13-10)7-11(3,4)5/h6,8H,7H2,1-5H3,(H,12,13).
What are the key properties of 5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole?
5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole has a molecular weight of 180.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 59743848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).