2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline

C16H23N3O2 — CID 62128291

IUPAC2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
SMILESCCOc1ccc(OCC)c(NCc2cnn(CC)c2)c1
InChIInChI=1S/C16H23N3O2/c1-4-19-12-13(11-18-19)10-17-15-9-14(20-5-2)7-8-16(15)21-6-3/h7-9,11-12,17H,4-6,10H2,1-3H3
InChIKeyHBCCDKXQCHOFDE-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.31
Rot. Bonds8

About 2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline

2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline (PubChem CID 62128291) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
PubChem CID62128291
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
SMILESCCOc1ccc(OCC)c(NCc2cnn(CC)c2)c1
InChIInChI=1S/C16H23N3O2/c1-4-19-12-13(11-18-19)10-17-15-9-14(20-5-2)7-8-16(15)21-6-3/h7-9,11-12,17H,4-6,10H2,1-3H3
InChIKeyHBCCDKXQCHOFDE-UHFFFAOYSA-N
XLogP3.31
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126887
2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829629
3-bromo-5-chloro-2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 103818230
N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
CID 126966280
2,5-diethoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657607
1-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19344221
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,5-diethoxyaniline
CID 43524683
1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822526
N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-2-nitroaniline
CID 103569262
trans-(1R,2S)-2-(4-ethoxyphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]cyclopropan-1-amine
CID 126823826
2,5-diethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696576
2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 75392529

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline (CID 62128291) is 2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline is CCOc1ccc(OCC)c(NCc2cnn(CC)c2)c1.
What is the InChIKey of 2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
The InChIKey is HBCCDKXQCHOFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-19-12-13(11-18-19)10-17-15-9-14(20-5-2)7-8-16(15)21-6-3/h7-9,11-12,17H,4-6,10H2,1-3H3.
What are the key properties of 2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline?
2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline has a molecular weight of 289.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 62128291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).