N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine

C15H12Cl2N4 — CID 43704388

IUPACN-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
SMILESClc1cccc(Cl)c1CNc1ccc(-n2cccn2)nc1
InChIInChI=1S/C15H12Cl2N4/c16-13-3-1-4-14(17)12(13)10-18-11-5-6-15(19-9-11)21-8-2-7-20-21/h1-9,18H,10H2
InChIKeyYAPDUXPCWWCNMA-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.19
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine

N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine (PubChem CID 43704388) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
PubChem CID43704388
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
SMILESClc1cccc(Cl)c1CNc1ccc(-n2cccn2)nc1
InChIInChI=1S/C15H12Cl2N4/c16-13-3-1-4-14(17)12(13)10-18-11-5-6-15(19-9-11)21-8-2-7-20-21/h1-9,18H,10H2
InChIKeyYAPDUXPCWWCNMA-UHFFFAOYSA-N
XLogP4.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691581
N-[(4-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704289
3-[[(6-pyrazol-1-yl-3-pyridinyl)amino]methyl]benzene-1,2-diol
CID 61318074
N-[(2-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704514
N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688256
N-[(1-methyltriazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 62755770
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704477
N-hexyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704280
N-octyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704279
4-chloro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499347
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 25480347

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine (CID 43704388) is N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine is Clc1cccc(Cl)c1CNc1ccc(-n2cccn2)nc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine?
The InChIKey is YAPDUXPCWWCNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c16-13-3-1-4-14(17)12(13)10-18-11-5-6-15(19-9-11)21-8-2-7-20-21/h1-9,18H,10H2.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine?
N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine has a molecular weight of 319.20 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 43704388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).