2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine

C14H22N4 — CID 91347487

IUPAC2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESCCC(C)(C)CCNc1nn2ccccc2c1N
InChIInChI=1S/C14H22N4/c1-4-14(2,3)8-9-16-13-12(15)11-7-5-6-10-18(11)17-13/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyIMCOMEYSCVYPIC-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.15
Rot. Bonds5

About 2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine

2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 91347487) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine
PubChem CID91347487
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine
SMILESCCC(C)(C)CCNc1nn2ccccc2c1N
InChIInChI=1S/C14H22N4/c1-4-14(2,3)8-9-16-13-12(15)11-7-5-6-10-18(11)17-13/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyIMCOMEYSCVYPIC-UHFFFAOYSA-N
XLogP3.15
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine?
The IUPAC name of 2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine (CID 91347487) is 2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine?
The canonical SMILES for 2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine is CCC(C)(C)CCNc1nn2ccccc2c1N.
What is the InChIKey of 2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine?
The InChIKey is IMCOMEYSCVYPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-14(2,3)8-9-16-13-12(15)11-7-5-6-10-18(11)17-13/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine?
2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 246.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylpentyl)pyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 91347487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).