4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole

C16H21ClN2O — CID 81005789

IUPAC4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(COc2cc(C)ccc2C)c1Cl
InChIInChI=1S/C16H21ClN2O/c1-5-13-16(17)14(19(6-2)18-13)10-20-15-9-11(3)7-8-12(15)4/h7-9H,5-6,10H2,1-4H3
InChIKeyVFNXTCIUISMXOW-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.31
Rot. Bonds5

About 4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole

4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole (PubChem CID 81005789) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole.

Molecular Properties

Compound Name4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole
PubChem CID81005789
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(COc2cc(C)ccc2C)c1Cl
InChIInChI=1S/C16H21ClN2O/c1-5-13-16(17)14(19(6-2)18-13)10-20-15-9-11(3)7-8-12(15)4/h7-9H,5-6,10H2,1-4H3
InChIKeyVFNXTCIUISMXOW-UHFFFAOYSA-N
XLogP4.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine
CID 79163859
4,5-dichloro-2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]aniline
CID 107498514
4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80999468
[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698401
[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol
CID 82207380
(1S)-1-[2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-4-methylphenyl]ethanol
CID 79025830
5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazole-4-carbonitrile
CID 82207381
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylsulfanyl]-4-methylaniline
CID 79142466
2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine
CID 79168716
4-chloro-5-[3-chloro-2-(3-methylphenyl)propyl]-1,3-diethylpyrazole
CID 79423087
(1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025743
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2,6-difluoro-3-methylaniline
CID 82801684

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole?
The IUPAC name of 4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole (CID 81005789) is 4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole.
What is the SMILES notation for 4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole?
The canonical SMILES for 4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole is CCc1nn(CC)c(COc2cc(C)ccc2C)c1Cl.
What is the InChIKey of 4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole?
The InChIKey is VFNXTCIUISMXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-5-13-16(17)14(19(6-2)18-13)10-20-15-9-11(3)7-8-12(15)4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole?
4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole has a molecular weight of 292.81 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole is sourced from PubChem (CID 81005789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).