[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol

C12H15N3O2 — CID 117338191

IUPAC[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
SMILESCOc1c(CO)cccc1-c1cnn(C)c1N
InChIInChI=1S/C12H15N3O2/c1-15-12(13)10(6-14-15)9-5-3-4-8(7-16)11(9)17-2/h3-6,16H,7,13H2,1-2H3
InChIKeyGTOAOBAIYRGPCV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.17
Rot. Bonds3

About [3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol

[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol (PubChem CID 117338191) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
PubChem CID117338191
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
SMILESCOc1c(CO)cccc1-c1cnn(C)c1N
InChIInChI=1S/C12H15N3O2/c1-15-12(13)10(6-14-15)9-5-3-4-8(7-16)11(9)17-2/h3-6,16H,7,13H2,1-2H3
InChIKeyGTOAOBAIYRGPCV-UHFFFAOYSA-N
XLogP1.17
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638
4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416887
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476513
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine
CID 117488438
4-(3-methoxy-2-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376786
4-(5-amino-1-methylpyrazol-4-yl)-2,3-dimethoxybenzaldehyde
CID 117407008
4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444282

Frequently Asked Questions

What is the IUPAC name of [3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol?
The IUPAC name of [3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol (CID 117338191) is [3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol.
What is the SMILES notation for [3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol?
The canonical SMILES for [3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol is COc1c(CO)cccc1-c1cnn(C)c1N.
What is the InChIKey of [3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol?
The InChIKey is GTOAOBAIYRGPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-12(13)10(6-14-15)9-5-3-4-8(7-16)11(9)17-2/h3-6,16H,7,13H2,1-2H3.
What are the key properties of [3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol?
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol is sourced from PubChem (CID 117338191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).