5-pyridin-3-yl-1H-pyrazol-3-amine

C8H8N4 — CID 7446899

IUPAC5-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccnc2)[nH]n1
InChIInChI=1S/C8H8N4/c9-8-4-7(11-12-8)6-2-1-3-10-5-6/h1-5H,(H3,9,11,12)
InChIKeyUSKHSGIEOVXVFW-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.05
Rot. Bonds1

About 5-pyridin-3-yl-1H-pyrazol-3-amine

5-pyridin-3-yl-1H-pyrazol-3-amine (PubChem CID 7446899) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-pyridin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-pyridin-3-yl-1H-pyrazol-3-amine
PubChem CID7446899
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name5-pyridin-3-yl-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccnc2)[nH]n1
InChIInChI=1S/C8H8N4/c9-8-4-7(11-12-8)6-2-1-3-10-5-6/h1-5H,(H3,9,11,12)
InChIKeyUSKHSGIEOVXVFW-UHFFFAOYSA-N
XLogP1.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-pyridin-3-yl-1H-pyrazol-3-amine (CID 7446899) is 5-pyridin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-pyridin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-pyridin-3-yl-1H-pyrazol-3-amine is Nc1cc(-c2cccnc2)[nH]n1.
What is the InChIKey of 5-pyridin-3-yl-1H-pyrazol-3-amine?
The InChIKey is USKHSGIEOVXVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-8-4-7(11-12-8)6-2-1-3-10-5-6/h1-5H,(H3,9,11,12).
What are the key properties of 5-pyridin-3-yl-1H-pyrazol-3-amine?
5-pyridin-3-yl-1H-pyrazol-3-amine has a molecular weight of 160.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 7446899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).