N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine

C17H18N4O — CID 78879011

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCc2cnn(Cc3ccccc3)c2)cn1
InChIInChI=1S/C17H18N4O/c1-22-17-8-7-16(11-19-17)18-9-15-10-20-21(13-15)12-14-5-3-2-4-6-14/h2-8,10-11,13,18H,9,12H2,1H3
InChIKeyDTVUXQBLJSVVOS-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.95
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine

N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine (PubChem CID 78879011) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
PubChem CID78879011
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
SMILESCOc1ccc(NCc2cnn(Cc3ccccc3)c2)cn1
InChIInChI=1S/C17H18N4O/c1-22-17-8-7-16(11-19-17)18-9-15-10-20-21(13-15)12-14-5-3-2-4-6-14/h2-8,10-11,13,18H,9,12H2,1H3
InChIKeyDTVUXQBLJSVVOS-UHFFFAOYSA-N
XLogP2.95
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine
CID 133374077
N-[(1-benzylpyrazol-4-yl)methyl]-4-iodoaniline
CID 43503117
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloroaniline
CID 43503102
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N-[(1-benzylpyrazol-4-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline
CID 97236747
1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
CID 113224396
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
N-[(1-benzylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047705
3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
CID 28564635

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine (CID 78879011) is N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine is COc1ccc(NCc2cnn(Cc3ccccc3)c2)cn1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine?
The InChIKey is DTVUXQBLJSVVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-17-8-7-16(11-19-17)18-9-15-10-20-21(13-15)12-14-5-3-2-4-6-14/h2-8,10-11,13,18H,9,12H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine?
N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine has a molecular weight of 294.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 78879011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).