4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline

C14H19N3O2 — CID 43734233

IUPAC4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCOCCOc1ccc(NCc2cn[nH]c2C)cc1
InChIInChI=1S/C14H19N3O2/c1-11-12(10-16-17-11)9-15-13-3-5-14(6-4-13)19-8-7-18-2/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyVUMYVKBJYJMXGP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.36
Rot. Bonds7

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

4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 43734233) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID43734233
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCOCCOc1ccc(NCc2cn[nH]c2C)cc1
InChIInChI=1S/C14H19N3O2/c1-11-12(10-16-17-11)9-15-13-3-5-14(6-4-13)19-8-7-18-2/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyVUMYVKBJYJMXGP-UHFFFAOYSA-N
XLogP2.36
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 43663707
N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43683696
3-bromo-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 63998059
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43663501
tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate
CID 103818455
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide
CID 61021408
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 43734126
3-fluoro-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663743
4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline
CID 55109980
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
3-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 115909467
3-chloro-4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54864056

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (CID 43734233) is 4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is COCCOc1ccc(NCc2cn[nH]c2C)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is VUMYVKBJYJMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-12(10-16-17-11)9-15-13-3-5-14(6-4-13)19-8-7-18-2/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 261.32 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43734233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).