2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine

C7H10N6 — CID 13080914

IUPAC2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cn1nccc1N
InChIInChI=1S/C7H10N6/c8-6-1-3-10-12(6)5-13-7(9)2-4-11-13/h1-4H,5,8-9H2
InChIKeyDVGWGVIBOMVZHL-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.25
Rot. Bonds2

About 2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine

2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine (PubChem CID 13080914) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine
PubChem CID13080914
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cn1nccc1N
InChIInChI=1S/C7H10N6/c8-6-1-3-10-12(6)5-13-7(9)2-4-11-13/h1-4H,5,8-9H2
InChIKeyDVGWGVIBOMVZHL-UHFFFAOYSA-N
XLogP-0.25
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine (CID 13080914) is 2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine is Nc1ccnn1Cn1nccc1N.
What is the InChIKey of 2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine?
The InChIKey is DVGWGVIBOMVZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c8-6-1-3-10-12(6)5-13-7(9)2-4-11-13/h1-4H,5,8-9H2.
What are the key properties of 2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine?
2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine has a molecular weight of 178.20 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrazol-1-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 13080914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).