[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine

C14H19N3O2 — CID 79485113

IUPAC[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine
SMILESCOCCOc1ccc(-c2nn(C)cc2CN)cc1
InChIInChI=1S/C14H19N3O2/c1-17-10-12(9-15)14(16-17)11-3-5-13(6-4-11)19-8-7-18-2/h3-6,10H,7-9,15H2,1-2H3
InChIKeyPYUSRCQRLXYHFV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.57
Rot. Bonds6

About [3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine

[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine (PubChem CID 79485113) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine
PubChem CID79485113
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine
SMILESCOCCOc1ccc(-c2nn(C)cc2CN)cc1
InChIInChI=1S/C14H19N3O2/c1-17-10-12(9-15)14(16-17)11-3-5-13(6-4-11)19-8-7-18-2/h3-6,10H,7-9,15H2,1-2H3
InChIKeyPYUSRCQRLXYHFV-UHFFFAOYSA-N
XLogP1.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-3-(4-ethoxyphenyl)-1-methylpyrazole
CID 39095673
[1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine
CID 79485117
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 122567754
N,N-dimethyl-2-[4-[1-methyl-4-(methylaminomethyl)pyrazol-3-yl]phenoxy]ethanamine
CID 79490898
2-[3-(4-ethoxyphenyl)-1-methylpyrazol-4-yl]acetonitrile
CID 39097031
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
CID 39095734
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
1-ethyl-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-1,2,4-triazole
CID 121498205
[5-[4-(2-methoxyethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 98017803
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117370752
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 104592742

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine (CID 79485113) is [3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine is COCCOc1ccc(-c2nn(C)cc2CN)cc1.
What is the InChIKey of [3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine?
The InChIKey is PYUSRCQRLXYHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-10-12(9-15)14(16-17)11-3-5-13(6-4-11)19-8-7-18-2/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of [3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine?
[3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 79485113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).