2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine

C15H13ClN4 — CID 103756564

IUPAC2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
SMILESClc1cc(NCc2ccccc2-n2cccn2)ccn1
InChIInChI=1S/C15H13ClN4/c16-15-10-13(6-8-17-15)18-11-12-4-1-2-5-14(12)20-9-3-7-19-20/h1-10H,11H2,(H,17,18)
InChIKeyRRCMRLZULPLSEZ-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine

2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine (PubChem CID 103756564) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
PubChem CID103756564
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
SMILESClc1cc(NCc2ccccc2-n2cccn2)ccn1
InChIInChI=1S/C15H13ClN4/c16-15-10-13(6-8-17-15)18-11-12-4-1-2-5-14(12)20-9-3-7-19-20/h1-10H,11H2,(H,17,18)
InChIKeyRRCMRLZULPLSEZ-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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Related Compounds

N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine
CID 133439763
5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 61166350
3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 114835748
N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084
N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide
CID 71913359
3-N,3-N-dimethyl-2-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazine-2,3-diamine
CID 134714332
1-(2-pyrazol-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 61167894
N-tert-butyl-2-[[(2-chloro-4-pyridinyl)amino]methyl]benzenesulfonamide
CID 133360241
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61166542
N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154887071
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine (CID 103756564) is 2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine is Clc1cc(NCc2ccccc2-n2cccn2)ccn1.
What is the InChIKey of 2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine?
The InChIKey is RRCMRLZULPLSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-15-10-13(6-8-17-15)18-11-12-4-1-2-5-14(12)20-9-3-7-19-20/h1-10H,11H2,(H,17,18).
What are the key properties of 2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine?
2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-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 2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 103756564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).