N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline

C16H16N4 — CID 104756598

IUPACN-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline
SMILESCc1ccc(CNc2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C16H16N4/c1-13-6-7-14(11-17-13)12-18-15-4-2-5-16(10-15)20-9-3-8-19-20/h2-11,18H,12H2,1H3
InChIKeyXDQLNPWLMXMJBQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.19
Rot. Bonds4

About N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline

N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline (PubChem CID 104756598) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline
PubChem CID104756598
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline
SMILESCc1ccc(CNc2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C16H16N4/c1-13-6-7-14(11-17-13)12-18-15-4-2-5-16(10-15)20-9-3-8-19-20/h2-11,18H,12H2,1H3
InChIKeyXDQLNPWLMXMJBQ-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916
N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739922
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314
N-[(5-bromothiophen-3-yl)methyl]-3-pyrazol-1-ylaniline
CID 43740019
N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline
CID 146095566
3-pyrazol-1-yl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 55109620
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrazol-1-ylaniline
CID 62134761
N-[(2-bromophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739976
N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
CID 43739947
2-[(3-pyrazol-1-ylanilino)methyl]aniline
CID 66416886
N-[(4,5-dibromothiophen-2-yl)methyl]-3-pyrazol-1-ylaniline
CID 102833729

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline (CID 104756598) is N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline is Cc1ccc(CNc2cccc(-n3cccn3)c2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline?
The InChIKey is XDQLNPWLMXMJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-13-6-7-14(11-17-13)12-18-15-4-2-5-16(10-15)20-9-3-8-19-20/h2-11,18H,12H2,1H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline?
N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline has a molecular weight of 264.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline is sourced from PubChem (CID 104756598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).