1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride

C8H8Cl2N4 — CID 138987615

IUPAC1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2ncccc2Cl)c1
InChIInChI=1S/C8H7ClN4.ClH/c9-7-2-1-3-11-8(7)13-5-6(10)4-12-13;/h1-5H,10H2;1H
InChIKeySMSJMTKPLKVCNP-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.92
Rot. Bonds1

About 1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride

1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride (PubChem CID 138987615) has the molecular formula C8H8Cl2N4 and a molecular weight of 231.09 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride
PubChem CID138987615
Molecular FormulaC8H8Cl2N4
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(-c2ncccc2Cl)c1
InChIInChI=1S/C8H7ClN4.ClH/c9-7-2-1-3-11-8(7)13-5-6(10)4-12-13;/h1-5H,10H2;1H
InChIKeySMSJMTKPLKVCNP-UHFFFAOYSA-N
XLogP1.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride (CID 138987615) is 1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride is Cl.Nc1cnn(-c2ncccc2Cl)c1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride?
The InChIKey is SMSJMTKPLKVCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4.ClH/c9-7-2-1-3-11-8(7)13-5-6(10)4-12-13;/h1-5H,10H2;1H.
What are the key properties of 1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride?
1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride has a molecular weight of 231.09 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 138987615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).