1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine

C7H9N5 — CID 22062293

IUPAC1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine
SMILESNc1cnn(-c2cc[nH]c2)c1N
InChIInChI=1S/C7H9N5/c8-6-4-11-12(7(6)9)5-1-2-10-3-5/h1-4,10H,8-9H2
InChIKeyAIFRKXVKQNSXIH-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.36
Rot. Bonds1

About 1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine

1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine (PubChem CID 22062293) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine
PubChem CID22062293
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine
SMILESNc1cnn(-c2cc[nH]c2)c1N
InChIInChI=1S/C7H9N5/c8-6-4-11-12(7(6)9)5-1-2-10-3-5/h1-4,10H,8-9H2
InChIKeyAIFRKXVKQNSXIH-UHFFFAOYSA-N
XLogP0.36
TPSA85.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine?
The IUPAC name of 1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine (CID 22062293) is 1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine is Nc1cnn(-c2cc[nH]c2)c1N.
What is the InChIKey of 1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine?
The InChIKey is AIFRKXVKQNSXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c8-6-4-11-12(7(6)9)5-1-2-10-3-5/h1-4,10H,8-9H2.
What are the key properties of 1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine?
1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine has a molecular weight of 163.18 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 22062293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).