(5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine

C13H17N3O2 — CID 114255329

IUPAC(5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1cc(OC)n(C)n1
InChIInChI=1S/C13H17N3O2/c1-16-12(18-3)8-10(15-16)13(14)9-6-4-5-7-11(9)17-2/h4-8,13H,14H2,1-3H3
InChIKeyFLLMJJYKYSVFFY-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.49
Rot. Bonds4

About (5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine

(5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine (PubChem CID 114255329) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine
PubChem CID114255329
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1cc(OC)n(C)n1
InChIInChI=1S/C13H17N3O2/c1-16-12(18-3)8-10(15-16)13(14)9-6-4-5-7-11(9)17-2/h4-8,13H,14H2,1-3H3
InChIKeyFLLMJJYKYSVFFY-UHFFFAOYSA-N
XLogP1.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine
CID 114255334
2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
CID 114255324
(1,5-dimethylpyrazol-3-yl)-(3-methoxy-2-pyridinyl)methanamine
CID 114220495
1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine
CID 81346685
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine
CID 114255322
(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 82808424
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
5-methoxy-1-methylpyrazol-3-amine
CID 55284551
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659698
(2-methoxy-5-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 103127012
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine?
The IUPAC name of (5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine (CID 114255329) is (5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine.
What is the SMILES notation for (5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine?
The canonical SMILES for (5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine is COc1ccccc1C(N)c1cc(OC)n(C)n1.
What is the InChIKey of (5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine?
The InChIKey is FLLMJJYKYSVFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-12(18-3)8-10(15-16)13(14)9-6-4-5-7-11(9)17-2/h4-8,13H,14H2,1-3H3.
What are the key properties of (5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine?
(5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 114255329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).