N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline

C17H17N3O — CID 43739922

IUPACN-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
SMILESCOc1cccc(CNc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C17H17N3O/c1-21-17-8-2-5-14(11-17)13-18-15-6-3-7-16(12-15)20-10-4-9-19-20/h2-12,18H,13H2,1H3
InChIKeyCNRAOJQIMSGABY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.49
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline (PubChem CID 43739922) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
PubChem CID43739922
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
SMILESCOc1cccc(CNc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C17H17N3O/c1-21-17-8-2-5-14(11-17)13-18-15-6-3-7-16(12-15)20-10-4-9-19-20/h2-12,18H,13H2,1H3
InChIKeyCNRAOJQIMSGABY-UHFFFAOYSA-N
XLogP3.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline
CID 146095566
N-[(3-methoxyphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691927
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916
N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline
CID 104756598
4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine
CID 113367561
N-[(5-bromothiophen-3-yl)methyl]-3-pyrazol-1-ylaniline
CID 43740019
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111250486
N-hexyl-3-pyrazol-1-ylaniline
CID 43739910
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
2-[(3-pyrazol-1-ylanilino)methyl]aniline
CID 66416886

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline (CID 43739922) is N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline is COc1cccc(CNc2cccc(-n3cccn3)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline?
The InChIKey is CNRAOJQIMSGABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-17-8-2-5-14(11-17)13-18-15-6-3-7-16(12-15)20-10-4-9-19-20/h2-12,18H,13H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline?
N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline has a molecular weight of 279.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline is sourced from PubChem (CID 43739922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).