2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H21FN4 — CID 136841073

IUPAC2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)Cc1cc2n(n1)C(c1ccc(F)cn1)CCN2
InChIInChI=1S/C16H21FN4/c1-16(2,3)9-12-8-15-18-7-6-14(21(15)20-12)13-5-4-11(17)10-19-13/h4-5,8,10,14,18H,6-7,9H2,1-3H3
InChIKeyFQUBWKCQHRFMDE-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.41
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841073) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841073
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)Cc1cc2n(n1)C(c1ccc(F)cn1)CCN2
InChIInChI=1S/C16H21FN4/c1-16(2,3)9-12-8-15-18-7-6-14(21(15)20-12)13-5-4-11(17)10-19-13/h4-5,8,10,14,18H,6-7,9H2,1-3H3
InChIKeyFQUBWKCQHRFMDE-UHFFFAOYSA-N
XLogP3.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841073) is 2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC(C)(C)Cc1cc2n(n1)C(c1ccc(F)cn1)CCN2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FQUBWKCQHRFMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-16(2,3)9-12-8-15-18-7-6-14(21(15)20-12)13-5-4-11(17)10-19-13/h4-5,8,10,14,18H,6-7,9H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 288.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-7-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).