1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine

C9H11N5 — CID 58830838

IUPAC1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine
SMILESNc1cnn(Cc2cccnc2)c1N
InChIInChI=1S/C9H11N5/c10-8-5-13-14(9(8)11)6-7-2-1-3-12-4-7/h1-5H,6,10-11H2
InChIKeyAXSBAJJQEVLKCY-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.49
Rot. Bonds2

About 1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine

1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine (PubChem CID 58830838) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine
PubChem CID58830838
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine
SMILESNc1cnn(Cc2cccnc2)c1N
InChIInChI=1S/C9H11N5/c10-8-5-13-14(9(8)11)6-7-2-1-3-12-4-7/h1-5H,6,10-11H2
InChIKeyAXSBAJJQEVLKCY-UHFFFAOYSA-N
XLogP0.49
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine (CID 58830838) is 1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine is Nc1cnn(Cc2cccnc2)c1N.
What is the InChIKey of 1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine?
The InChIKey is AXSBAJJQEVLKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-8-5-13-14(9(8)11)6-7-2-1-3-12-4-7/h1-5H,6,10-11H2.
What are the key properties of 1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine?
1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine has a molecular weight of 189.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 58830838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).