1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine

C9H9ClN4 — CID 130684274

IUPAC1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine
SMILESCNc1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C9H9ClN4/c1-11-8-4-6-14(13-8)9-7(10)3-2-5-12-9/h2-6H,1H3,(H,11,13)
InChIKeyXSEANIVMVUDUJM-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.96
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine

1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine (PubChem CID 130684274) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine
PubChem CID130684274
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine
SMILESCNc1ccn(-c2ncccc2Cl)n1
InChIInChI=1S/C9H9ClN4/c1-11-8-4-6-14(13-8)9-7(10)3-2-5-12-9/h2-6H,1H3,(H,11,13)
InChIKeyXSEANIVMVUDUJM-UHFFFAOYSA-N
XLogP1.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.96
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)-N-methylpyrazol-3-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine (CID 130684274) is 1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine is CNc1ccn(-c2ncccc2Cl)n1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine?
The InChIKey is XSEANIVMVUDUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-11-8-4-6-14(13-8)9-7(10)3-2-5-12-9/h2-6H,1H3,(H,11,13).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine?
1-(3-chloro-2-pyridinyl)-N-methylpyrazol-3-amine has a molecular weight of 208.65 g/mol, XLogP of 1.96, 2 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)-N-methylpyrazol-3-amine is sourced from PubChem (CID 130684274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).