2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine

C16H23N3 — CID 90268917

IUPAC2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(-c2cc(CC(C)(C)C)[nH]n2)nc1
InChIInChI=1S/C16H23N3/c1-11(2)12-6-7-14(17-10-12)15-8-13(18-19-15)9-16(3,4)5/h6-8,10-11H,9H2,1-5H3,(H,18,19)
InChIKeyVMOXKXGLICMYSX-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.18
Rot. Bonds3

About 2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine

2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine (PubChem CID 90268917) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine
PubChem CID90268917
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(-c2cc(CC(C)(C)C)[nH]n2)nc1
InChIInChI=1S/C16H23N3/c1-11(2)12-6-7-14(17-10-12)15-8-13(18-19-15)9-16(3,4)5/h6-8,10-11H,9H2,1-5H3,(H,18,19)
InChIKeyVMOXKXGLICMYSX-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine?
The IUPAC name of 2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine (CID 90268917) is 2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine.
What is the SMILES notation for 2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine?
The canonical SMILES for 2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine is CC(C)c1ccc(-c2cc(CC(C)(C)C)[nH]n2)nc1.
What is the InChIKey of 2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine?
The InChIKey is VMOXKXGLICMYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)12-6-7-14(17-10-12)15-8-13(18-19-15)9-16(3,4)5/h6-8,10-11H,9H2,1-5H3,(H,18,19).
What are the key properties of 2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine?
2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine has a molecular weight of 257.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5-propan-2-ylpyridine is sourced from PubChem (CID 90268917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).