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

C14H19N3O — CID 54865353

IUPAC4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCCOc1ccc(NCc2cn[nH]c2C)c(C)c1
InChIInChI=1S/C14H19N3O/c1-4-18-13-5-6-14(10(2)7-13)15-8-12-9-16-17-11(12)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyCIGCDHLGHWABCR-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.04
Rot. Bonds5

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

4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 54865353) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID54865353
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCCOc1ccc(NCc2cn[nH]c2C)c(C)c1
InChIInChI=1S/C14H19N3O/c1-4-18-13-5-6-14(10(2)7-13)15-8-12-9-16-17-11(12)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyCIGCDHLGHWABCR-UHFFFAOYSA-N
XLogP3.04
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline
CID 79578562
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
4-fluoro-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 79768914
2-iodo-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 66093758
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
3-chloro-4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54864056
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
4-ethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 112636925
2-ethoxy-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63675675
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663563

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (CID 54865353) is 4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is CCOc1ccc(NCc2cn[nH]c2C)c(C)c1.
What is the InChIKey of 4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is CIGCDHLGHWABCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-18-13-5-6-14(10(2)7-13)15-8-12-9-16-17-11(12)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 54865353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).