5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine

C8H7ClN4 — CID 86664829

IUPAC5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccnc(Cl)c2)[nH]n1
InChIInChI=1S/C8H7ClN4/c9-7-3-5(1-2-11-7)6-4-8(10)13-12-6/h1-4H,(H3,10,12,13)
InChIKeyAECUTDLLQUZYJE-UHFFFAOYSA-N
MW194.63 g/mol
LogP1.71
Rot. Bonds1

About 5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine

5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine (PubChem CID 86664829) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is 5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine
PubChem CID86664829
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC Name5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccnc(Cl)c2)[nH]n1
InChIInChI=1S/C8H7ClN4/c9-7-3-5(1-2-11-7)6-4-8(10)13-12-6/h1-4H,(H3,10,12,13)
InChIKeyAECUTDLLQUZYJE-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine (CID 86664829) is 5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine is Nc1cc(-c2ccnc(Cl)c2)[nH]n1.
What is the InChIKey of 5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine?
The InChIKey is AECUTDLLQUZYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-7-3-5(1-2-11-7)6-4-8(10)13-12-6/h1-4H,(H3,10,12,13).
What are the key properties of 5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine?
5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine has a molecular weight of 194.63 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-pyridinyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 86664829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).