5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine

C11H11N7 — CID 102138690

IUPAC5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc(-c3cc(N)n[nH]3)n2)[nH]n1
InChIInChI=1S/C11H11N7/c12-10-4-8(15-17-10)6-2-1-3-7(14-6)9-5-11(13)18-16-9/h1-5H,(H3,12,15,17)(H3,13,16,18)
InChIKeyPCQKIQNISMBNSO-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.03
Rot. Bonds2

About 5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine

5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine (PubChem CID 102138690) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is 5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine
PubChem CID102138690
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2cccc(-c3cc(N)n[nH]3)n2)[nH]n1
InChIInChI=1S/C11H11N7/c12-10-4-8(15-17-10)6-2-1-3-7(14-6)9-5-11(13)18-16-9/h1-5H,(H3,12,15,17)(H3,13,16,18)
InChIKeyPCQKIQNISMBNSO-UHFFFAOYSA-N
XLogP1.03
TPSA122.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine (CID 102138690) is 5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine is Nc1cc(-c2cccc(-c3cc(N)n[nH]3)n2)[nH]n1.
What is the InChIKey of 5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine?
The InChIKey is PCQKIQNISMBNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c12-10-4-8(15-17-10)6-2-1-3-7(14-6)9-5-11(13)18-16-9/h1-5H,(H3,12,15,17)(H3,13,16,18).
What are the key properties of 5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine?
5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine has a molecular weight of 241.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-amino-1H-pyrazol-5-yl)-2-pyridinyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 102138690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).