2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine

C15H24N2 — CID 167370612

IUPAC2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine
SMILESCC1=CC2C=C(C(C)(C)C)N(C(C)C)N2C=C1
InChIInChI=1S/C15H24N2/c1-11(2)17-14(15(4,5)6)10-13-9-12(3)7-8-16(13)17/h7-11,13H,1-6H3
InChIKeyRPTZFNFUAPLZQC-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.70
Rot. Bonds1

About 2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine

2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine (PubChem CID 167370612) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine
PubChem CID167370612
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine
SMILESCC1=CC2C=C(C(C)(C)C)N(C(C)C)N2C=C1
InChIInChI=1S/C15H24N2/c1-11(2)17-14(15(4,5)6)10-13-9-12(3)7-8-16(13)17/h7-11,13H,1-6H3
InChIKeyRPTZFNFUAPLZQC-UHFFFAOYSA-N
XLogP3.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine (CID 167370612) is 2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine is CC1=CC2C=C(C(C)(C)C)N(C(C)C)N2C=C1.
What is the InChIKey of 2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine?
The InChIKey is RPTZFNFUAPLZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(2)17-14(15(4,5)6)10-13-9-12(3)7-8-16(13)17/h7-11,13H,1-6H3.
What are the key properties of 2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine?
2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine has a molecular weight of 232.37 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 167370612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).