3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine

C13H22N2 — CID 170149588

IUPAC3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cnn2c1C(C)(C)CCC2
InChIInChI=1S/C13H22N2/c1-12(2,3)10-9-14-15-8-6-7-13(4,5)11(10)15/h9H,6-8H2,1-5H3
InChIKeyMNMQXKCJTGNHDN-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.25
Rot. Bonds

About 3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine

3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine (PubChem CID 170149588) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
PubChem CID170149588
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cnn2c1C(C)(C)CCC2
InChIInChI=1S/C13H22N2/c1-12(2,3)10-9-14-15-8-6-7-13(4,5)11(10)15/h9H,6-8H2,1-5H3
InChIKeyMNMQXKCJTGNHDN-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine (CID 170149588) is 3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine is CC(C)(C)c1cnn2c1C(C)(C)CCC2.
What is the InChIKey of 3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
The InChIKey is MNMQXKCJTGNHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(2,3)10-9-14-15-8-6-7-13(4,5)11(10)15/h9H,6-8H2,1-5H3.
What are the key properties of 3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine?
3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine has a molecular weight of 206.33 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,4-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 170149588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).