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

C16H16N4 — CID 61165719

IUPACN-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
SMILESc1ccc(-n2cccn2)c(CNCc2ccncc2)c1
InChIInChI=1S/C16H16N4/c1-2-5-16(20-11-3-8-19-20)15(4-1)13-18-12-14-6-9-17-10-7-14/h1-11,18H,12-13H2
InChIKeyRAHXARMILOGSFJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.56
Rot. Bonds5

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

N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 61165719) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID61165719
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
SMILESc1ccc(-n2cccn2)c(CNCc2ccncc2)c1
InChIInChI=1S/C16H16N4/c1-2-5-16(20-11-3-8-19-20)15(4-1)13-18-12-14-6-9-17-10-7-14/h1-11,18H,12-13H2
InChIKeyRAHXARMILOGSFJ-UHFFFAOYSA-N
XLogP2.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]phenol
CID 47067947
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 51089946
1-(2-pyrazol-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 61167894
2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
N-[(5-bromothiophen-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167302
N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 115682527
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 61165939
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61166542
N-[(2-bromophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61402147

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine (CID 61165719) is N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine is c1ccc(-n2cccn2)c(CNCc2ccncc2)c1.
What is the InChIKey of N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is RAHXARMILOGSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-5-16(20-11-3-8-19-20)15(4-1)13-18-12-14-6-9-17-10-7-14/h1-11,18H,12-13H2.
What are the key properties of N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine?
N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 264.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 61165719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).