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

C7H10N6 — CID 13080913

IUPAC1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cn2ccc(N)n2)n1
InChIInChI=1S/C7H10N6/c8-6-1-3-12(10-6)5-13-4-2-7(9)11-13/h1-4H,5H2,(H2,8,10)(H2,9,11)
InChIKeyRAXKXQVCMYTLFG-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.25
Rot. Bonds2

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

1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine (PubChem CID 13080913) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine
PubChem CID13080913
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cn2ccc(N)n2)n1
InChIInChI=1S/C7H10N6/c8-6-1-3-12(10-6)5-13-4-2-7(9)11-13/h1-4H,5H2,(H2,8,10)(H2,9,11)
InChIKeyRAXKXQVCMYTLFG-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 1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine (CID 13080913) is 1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine is Nc1ccn(Cn2ccc(N)n2)n1.
What is the InChIKey of 1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine?
The InChIKey is RAXKXQVCMYTLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c8-6-1-3-12(10-6)5-13-4-2-7(9)11-13/h1-4H,5H2,(H2,8,10)(H2,9,11).
What are the key properties of 1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine?
1-[(3-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 1-[(3-aminopyrazol-1-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 13080913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).