3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine

C14H20N4 — CID 64777549

IUPAC3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESCCC(CC)n1ccc(Cc2cccnc2N)n1
InChIInChI=1S/C14H20N4/c1-3-13(4-2)18-9-7-12(17-18)10-11-6-5-8-16-14(11)15/h5-9,13H,3-4,10H2,1-2H3,(H2,15,16)
InChIKeyYGQGYSWGBMJZOH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.81
Rot. Bonds5

About 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine

3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine (PubChem CID 64777549) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine
PubChem CID64777549
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESCCC(CC)n1ccc(Cc2cccnc2N)n1
InChIInChI=1S/C14H20N4/c1-3-13(4-2)18-9-7-12(17-18)10-11-6-5-8-16-14(11)15/h5-9,13H,3-4,10H2,1-2H3,(H2,15,16)
InChIKeyYGQGYSWGBMJZOH-UHFFFAOYSA-N
XLogP2.81
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine (CID 64777549) is 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine is CCC(CC)n1ccc(Cc2cccnc2N)n1.
What is the InChIKey of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is YGQGYSWGBMJZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-13(4-2)18-9-7-12(17-18)10-11-6-5-8-16-14(11)15/h5-9,13H,3-4,10H2,1-2H3,(H2,15,16).
What are the key properties of 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine?
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 64777549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).