3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine

C13H15ClN4O — CID 166093962

IUPAC3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCOCC3)c2)cc1Cl
InChIInChI=1S/C13H15ClN4O/c14-12-5-9(6-16-13(12)15)10-7-17-18(8-10)11-1-3-19-4-2-11/h5-8,11H,1-4H2,(H2,15,16)
InChIKeyGGWZLVTXGXGAIQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.53
Rot. Bonds2

About 3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine

3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 166093962) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
PubChem CID166093962
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCOCC3)c2)cc1Cl
InChIInChI=1S/C13H15ClN4O/c14-12-5-9(6-16-13(12)15)10-7-17-18(8-10)11-1-3-19-4-2-11/h5-8,11H,1-4H2,(H2,15,16)
InChIKeyGGWZLVTXGXGAIQ-UHFFFAOYSA-N
XLogP2.53
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine (CID 166093962) is 3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine is Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1Cl.
What is the InChIKey of 3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is GGWZLVTXGXGAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-12-5-9(6-16-13(12)15)10-7-17-18(8-10)11-1-3-19-4-2-11/h5-8,11H,1-4H2,(H2,15,16).
What are the key properties of 3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine?
3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 278.74 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 166093962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).