1-(pyridin-2-ylmethyl)pyrazol-3-amine

C9H10N4 — CID 47002770

IUPAC1-(pyridin-2-ylmethyl)pyrazol-3-amine
SMILESNc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C9H10N4/c10-9-4-6-13(12-9)7-8-3-1-2-5-11-8/h1-6H,7H2,(H2,10,12)
InChIKeySUXMDEJSGWBFTG-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.91
Rot. Bonds2

About 1-(pyridin-2-ylmethyl)pyrazol-3-amine

1-(pyridin-2-ylmethyl)pyrazol-3-amine (PubChem CID 47002770) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)pyrazol-3-amine
PubChem CID47002770
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name1-(pyridin-2-ylmethyl)pyrazol-3-amine
SMILESNc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C9H10N4/c10-9-4-6-13(12-9)7-8-3-1-2-5-11-8/h1-6H,7H2,(H2,10,12)
InChIKeySUXMDEJSGWBFTG-UHFFFAOYSA-N
XLogP0.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-(pyridin-2-ylmethyl)pyrazol-3-amine (CID 47002770) is 1-(pyridin-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-(pyridin-2-ylmethyl)pyrazol-3-amine is Nc1ccn(Cc2ccccn2)n1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)pyrazol-3-amine?
The InChIKey is SUXMDEJSGWBFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-9-4-6-13(12-9)7-8-3-1-2-5-11-8/h1-6H,7H2,(H2,10,12).
What are the key properties of 1-(pyridin-2-ylmethyl)pyrazol-3-amine?
1-(pyridin-2-ylmethyl)pyrazol-3-amine has a molecular weight of 174.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 47002770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).