1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine

C9H9ClN4 — CID 130588403

IUPAC1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine
SMILESCc1nccc(-n2ccc(N)n2)c1Cl
InChIInChI=1S/C9H9ClN4/c1-6-9(10)7(2-4-12-6)14-5-3-8(11)13-14/h2-5H,1H3,(H2,11,13)
InChIKeyRRMXCZQPUANLBE-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.81
Rot. Bonds1

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

1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine (PubChem CID 130588403) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine
PubChem CID130588403
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine
SMILESCc1nccc(-n2ccc(N)n2)c1Cl
InChIInChI=1S/C9H9ClN4/c1-6-9(10)7(2-4-12-6)14-5-3-8(11)13-14/h2-5H,1H3,(H2,11,13)
InChIKeyRRMXCZQPUANLBE-UHFFFAOYSA-N
XLogP1.81
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.81
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-methyl-4-pyridinyl)pyrazol-3-amine?
The IUPAC name of 1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine (CID 130588403) is 1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine?
The canonical SMILES for 1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine is Cc1nccc(-n2ccc(N)n2)c1Cl.
What is the InChIKey of 1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine?
The InChIKey is RRMXCZQPUANLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-6-9(10)7(2-4-12-6)14-5-3-8(11)13-14/h2-5H,1H3,(H2,11,13).
What are the key properties of 1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine?
1-(3-chloro-2-methyl-4-pyridinyl)pyrazol-3-amine has a molecular weight of 208.65 g/mol, XLogP of 1.81, 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-methyl-4-pyridinyl)pyrazol-3-amine is sourced from PubChem (CID 130588403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).