1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole

C14H18N2O — CID 64764003

IUPAC1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
SMILESCCc1cccc(OCc2cnn(CC)c2)c1
InChIInChI=1S/C14H18N2O/c1-3-12-6-5-7-14(8-12)17-11-13-9-15-16(4-2)10-13/h5-10H,3-4,11H2,1-2H3
InChIKeyDHPGCUYSWHTEGR-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.04
Rot. Bonds5

About 1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole

1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole (PubChem CID 64764003) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
PubChem CID64764003
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
SMILESCCc1cccc(OCc2cnn(CC)c2)c1
InChIInChI=1S/C14H18N2O/c1-3-12-6-5-7-14(8-12)17-11-13-9-15-16(4-2)10-13/h5-10H,3-4,11H2,1-2H3
InChIKeyDHPGCUYSWHTEGR-UHFFFAOYSA-N
XLogP3.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62127453
[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
CID 62127102
1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125799
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
[2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 102723760
3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol
CID 107679822
6-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63097085
3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol
CID 62125688
[5-[(1-ethylpyrazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799636
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
1,4-diethylpyrazole;ethane
CID 143641951

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole?
The IUPAC name of 1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole (CID 64764003) is 1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole is CCc1cccc(OCc2cnn(CC)c2)c1.
What is the InChIKey of 1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole?
The InChIKey is DHPGCUYSWHTEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-12-6-5-7-14(8-12)17-11-13-9-15-16(4-2)10-13/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole?
1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole has a molecular weight of 230.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole is sourced from PubChem (CID 64764003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).