1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine

C15H21N3O2 — CID 54847208

IUPAC1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1[nH]nc(-c2ccc(OCCOC)cc2)c1C
InChIInChI=1S/C15H21N3O2/c1-11-14(10-16-2)17-18-15(11)12-4-6-13(7-5-12)20-9-8-19-3/h4-7,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyABFBXSOVQPVIQP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.13
Rot. Bonds7

About 1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine

1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine (PubChem CID 54847208) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine
PubChem CID54847208
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine
SMILESCNCc1[nH]nc(-c2ccc(OCCOC)cc2)c1C
InChIInChI=1S/C15H21N3O2/c1-11-14(10-16-2)17-18-15(11)12-4-6-13(7-5-12)20-9-8-19-3/h4-7,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyABFBXSOVQPVIQP-UHFFFAOYSA-N
XLogP2.13
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine (CID 54847208) is 1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine is CNCc1[nH]nc(-c2ccc(OCCOC)cc2)c1C.
What is the InChIKey of 1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine?
The InChIKey is ABFBXSOVQPVIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-14(10-16-2)17-18-15(11)12-4-6-13(7-5-12)20-9-8-19-3/h4-7,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine?
1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyethoxy)phenyl]-4-methyl-1H-pyrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 54847208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).