2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine

C12H18N2 — CID 166774723

IUPAC2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine
SMILESCC1=CC2C=C(C)N(C(C)C)N2C=C1
InChIInChI=1S/C12H18N2/c1-9(2)14-11(4)8-12-7-10(3)5-6-13(12)14/h5-9,12H,1-4H3
InChIKeyUZZMMJNIRCWOBI-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.67
Rot. Bonds1

About 2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine

2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine (PubChem CID 166774723) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine
PubChem CID166774723
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine
SMILESCC1=CC2C=C(C)N(C(C)C)N2C=C1
InChIInChI=1S/C12H18N2/c1-9(2)14-11(4)8-12-7-10(3)5-6-13(12)14/h5-9,12H,1-4H3
InChIKeyUZZMMJNIRCWOBI-UHFFFAOYSA-N
XLogP2.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine?
The IUPAC name of 2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine (CID 166774723) is 2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine is CC1=CC2C=C(C)N(C(C)C)N2C=C1.
What is the InChIKey of 2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine?
The InChIKey is UZZMMJNIRCWOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)14-11(4)8-12-7-10(3)5-6-13(12)14/h5-9,12H,1-4H3.
What are the key properties of 2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine?
2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine has a molecular weight of 190.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-propan-2-yl-3aH-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 166774723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).