5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole

C14H17ClN2O2 — CID 103003740

IUPAC5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole
SMILESCOc1ccc(OCCc2ccnn2C)c(CCl)c1
InChIInChI=1S/C14H17ClN2O2/c1-17-12(5-7-16-17)6-8-19-14-4-3-13(18-2)9-11(14)10-15/h3-5,7,9H,6,8,10H2,1-2H3
InChIKeyCMOPRRZHGKAMQP-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.79
Rot. Bonds6

About 5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole

5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole (PubChem CID 103003740) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole
PubChem CID103003740
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole
SMILESCOc1ccc(OCCc2ccnn2C)c(CCl)c1
InChIInChI=1S/C14H17ClN2O2/c1-17-12(5-7-16-17)6-8-19-14-4-3-13(18-2)9-11(14)10-15/h3-5,7,9H,6,8,10H2,1-2H3
InChIKeyCMOPRRZHGKAMQP-UHFFFAOYSA-N
XLogP2.79
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 102999412
2-(chloromethyl)-1-(3-fluoropropoxy)-4-methoxybenzene
CID 81113741
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 107700474
5-[2-[2-(bromomethyl)-4-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003791
1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999612
2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 103013023
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
N-[[5-chloro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999589
5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole
CID 103016138
4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene
CID 65445631
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole?
The IUPAC name of 5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole (CID 103003740) is 5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole is COc1ccc(OCCc2ccnn2C)c(CCl)c1.
What is the InChIKey of 5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole?
The InChIKey is CMOPRRZHGKAMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-17-12(5-7-16-17)6-8-19-14-4-3-13(18-2)9-11(14)10-15/h3-5,7,9H,6,8,10H2,1-2H3.
What are the key properties of 5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole?
5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole has a molecular weight of 280.76 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole is sourced from PubChem (CID 103003740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).