N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine

C16H16N4 — CID 107331059

IUPACN-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine
SMILESCNCc1cncc(-c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C16H16N4/c1-17-10-13-9-14(12-18-11-13)16-7-8-19-20(16)15-5-3-2-4-6-15/h2-9,11-12,17H,10H2,1H3
InChIKeyUKNAQBIKLOOHFO-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.65
Rot. Bonds4

About N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine

N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine (PubChem CID 107331059) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine
PubChem CID107331059
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine
SMILESCNCc1cncc(-c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C16H16N4/c1-17-10-13-9-14(12-18-11-13)16-7-8-19-20(16)15-5-3-2-4-6-15/h2-9,11-12,17H,10H2,1H3
InChIKeyUKNAQBIKLOOHFO-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-fluoro-3-(2-phenylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 107331058
N-[[4-(2-phenylpyrazol-3-yl)phenyl]methyl]ethanamine
CID 107331089
2-methyl-4-(2-phenylpyrazol-3-yl)aniline
CID 107331021
5-benzyl-1-phenylpyrazole
CID 14003889
1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469756
5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol
CID 135923293
3-[(dimethylsulfamoylamino)methyl]-5-(2-methylpyrazol-3-yl)pyridine
CID 122274253
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
CID 114732239
N-methyl-1-[3-(2-propan-2-ylpyrazol-3-yl)phenyl]methanamine
CID 114197756
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120
2-methyl-5-(2-phenylpyrazol-3-yl)aniline
CID 107331025
N,N-dimethyl-1-[4-(5-phenylpyrazol-1-yl)phenyl]methanamine
CID 70981887

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine (CID 107331059) is N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine is CNCc1cncc(-c2ccnn2-c2ccccc2)c1.
What is the InChIKey of N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine?
The InChIKey is UKNAQBIKLOOHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-17-10-13-9-14(12-18-11-13)16-7-8-19-20(16)15-5-3-2-4-6-15/h2-9,11-12,17H,10H2,1H3.
What are the key properties of N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine?
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine has a molecular weight of 264.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 107331059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).