6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine

C15H13ClN4 — CID 83093214

IUPAC6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESClc1cccc(NCc2ccn(-c3ccccc3)n2)n1
InChIInChI=1S/C15H13ClN4/c16-14-7-4-8-15(18-14)17-11-12-9-10-20(19-12)13-5-2-1-3-6-13/h1-10H,11H2,(H,17,18)
InChIKeyILAIMNQBCZAAIO-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.53
Rot. Bonds4

About 6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine

6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine (PubChem CID 83093214) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine
PubChem CID83093214
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESClc1cccc(NCc2ccn(-c3ccccc3)n2)n1
InChIInChI=1S/C15H13ClN4/c16-14-7-4-8-15(18-14)17-11-12-9-10-20(19-12)13-5-2-1-3-6-13/h1-10H,11H2,(H,17,18)
InChIKeyILAIMNQBCZAAIO-UHFFFAOYSA-N
XLogP3.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine (CID 83093214) is 6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine is Clc1cccc(NCc2ccn(-c3ccccc3)n2)n1.
What is the InChIKey of 6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is ILAIMNQBCZAAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-14-7-4-8-15(18-14)17-11-12-9-10-20(19-12)13-5-2-1-3-6-13/h1-10H,11H2,(H,17,18).
What are the key properties of 6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine?
6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 284.75 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 83093214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).