2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol

C15H21N3O2 — CID 64829629

IUPAC2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
SMILESCCOc1ccc(NCc2cnn(CCO)c2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-3-20-14-4-5-15(12(2)8-14)16-9-13-10-17-18(11-13)6-7-19/h4-5,8,10-11,16,19H,3,6-7,9H2,1-2H3
InChIKeyNVBMIJQWZSIJCW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.19
Rot. Bonds7

About 2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol

2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64829629) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
PubChem CID64829629
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
SMILESCCOc1ccc(NCc2cnn(CCO)c2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-3-20-14-4-5-15(12(2)8-14)16-9-13-10-17-18(11-13)6-7-19/h4-5,8,10-11,16,19H,3,6-7,9H2,1-2H3
InChIKeyNVBMIJQWZSIJCW-UHFFFAOYSA-N
XLogP2.19
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829407
2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829341
2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64830927
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
2-[4-[(2-methyl-4-nitroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829004
2,5-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62128291
2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829597
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline
CID 79578562
4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol
CID 66480146
4-[(4-ethoxy-2-methylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203107

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol (CID 64829629) is 2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol is CCOc1ccc(NCc2cnn(CCO)c2)c(C)c1.
What is the InChIKey of 2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is NVBMIJQWZSIJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-20-14-4-5-15(12(2)8-14)16-9-13-10-17-18(11-13)6-7-19/h4-5,8,10-11,16,19H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 275.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).