3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine

C12H18N2 — CID 130178520

IUPAC3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine
SMILESCCCC(C)C1=C2C=CC=CN2NC1
InChIInChI=1S/C12H18N2/c1-3-6-10(2)11-9-13-14-8-5-4-7-12(11)14/h4-5,7-8,10,13H,3,6,9H2,1-2H3
InChIKeyIOXADNQJMSXDRZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.58
Rot. Bonds3

About 3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine

3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine (PubChem CID 130178520) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine
PubChem CID130178520
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine
SMILESCCCC(C)C1=C2C=CC=CN2NC1
InChIInChI=1S/C12H18N2/c1-3-6-10(2)11-9-13-14-8-5-4-7-12(11)14/h4-5,7-8,10,13H,3,6,9H2,1-2H3
InChIKeyIOXADNQJMSXDRZ-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine (CID 130178520) is 3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine is CCCC(C)C1=C2C=CC=CN2NC1.
What is the InChIKey of 3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine?
The InChIKey is IOXADNQJMSXDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-6-10(2)11-9-13-14-8-5-4-7-12(11)14/h4-5,7-8,10,13H,3,6,9H2,1-2H3.
What are the key properties of 3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine?
3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine has a molecular weight of 190.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 130178520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).