[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine

C18H19N3O — CID 170995038

IUPAC[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine
SMILESCn1cc(-c2cc(CN)cc(OCc3ccccc3)c2)cn1
InChIInChI=1S/C18H19N3O/c1-21-12-17(11-20-21)16-7-15(10-19)8-18(9-16)22-13-14-5-3-2-4-6-14/h2-9,11-12H,10,13,19H2,1H3
InChIKeyYUMGFEUIPXUQEM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.12
Rot. Bonds5

About [3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine

[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine (PubChem CID 170995038) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is [3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine
PubChem CID170995038
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine
SMILESCn1cc(-c2cc(CN)cc(OCc3ccccc3)c2)cn1
InChIInChI=1S/C18H19N3O/c1-21-12-17(11-20-21)16-7-15(10-19)8-18(9-16)22-13-14-5-3-2-4-6-14/h2-9,11-12H,10,13,19H2,1H3
InChIKeyYUMGFEUIPXUQEM-UHFFFAOYSA-N
XLogP3.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
CID 170995040
N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine
CID 170995437
2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
CID 170995438
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
1-methyl-4-phenylmethoxypyrazole
CID 84661432
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
(3-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951
3-(1-methylpyrazol-4-yl)-4-phenylmethoxybenzenethiol
CID 167225778
2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 54930677
4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
CID 170591109
[3-fluoro-5-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 116792491
5-phenylmethoxypyrimidin-2-amine
CID 20748397

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine?
The IUPAC name of [3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine (CID 170995038) is [3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine.
What is the SMILES notation for [3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine?
The canonical SMILES for [3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine is Cn1cc(-c2cc(CN)cc(OCc3ccccc3)c2)cn1.
What is the InChIKey of [3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine?
The InChIKey is YUMGFEUIPXUQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21-12-17(11-20-21)16-7-15(10-19)8-18(9-16)22-13-14-5-3-2-4-6-14/h2-9,11-12H,10,13,19H2,1H3.
What are the key properties of [3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine?
[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine has a molecular weight of 293.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine is sourced from PubChem (CID 170995038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).