[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine

C14H19N3O — CID 114277789

IUPAC[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine
SMILESCOCCn1nccc1C(N)c1ccccc1C
InChIInChI=1S/C14H19N3O/c1-11-5-3-4-6-12(11)14(15)13-7-8-16-17(13)9-10-18-2/h3-8,14H,9-10,15H2,1-2H3
InChIKeyVXDDAZIBJHPRLY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.89
Rot. Bonds5

About [2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine

[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine (PubChem CID 114277789) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine
PubChem CID114277789
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine
SMILESCOCCn1nccc1C(N)c1ccccc1C
InChIInChI=1S/C14H19N3O/c1-11-5-3-4-6-12(11)14(15)13-7-8-16-17(13)9-10-18-2/h3-8,14H,9-10,15H2,1-2H3
InChIKeyVXDDAZIBJHPRLY-UHFFFAOYSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyethyl)pyrazol-3-yl]-(3-methylthiophen-2-yl)methanamine
CID 114277911
(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine
CID 114277900
(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 114024209
(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330490
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
CID 63976392
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methyl]hydrazine
CID 105200540
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine
CID 105043065
(2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine
CID 63976398
2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine
CID 115029255

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine?
The IUPAC name of [2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine (CID 114277789) is [2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine.
What is the SMILES notation for [2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine?
The canonical SMILES for [2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine is COCCn1nccc1C(N)c1ccccc1C.
What is the InChIKey of [2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine?
The InChIKey is VXDDAZIBJHPRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-5-3-4-6-12(11)14(15)13-7-8-16-17(13)9-10-18-2/h3-8,14H,9-10,15H2,1-2H3.
What are the key properties of [2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine?
[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine is sourced from PubChem (CID 114277789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).