4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride

C14H19ClN2O2 — CID 11948795

IUPAC4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
SMILESCOc1cccc(OCCc2c(C)n[nH]c2C)c1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-10-14(11(2)16-15-10)7-8-18-13-6-4-5-12(9-13)17-3;/h4-6,9H,7-8H2,1-3H3,(H,15,16);1H
InChIKeyFQLFCGKZZDICSI-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.08
Rot. Bonds5

About 4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride

4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride (PubChem CID 11948795) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
PubChem CID11948795
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
SMILESCOc1cccc(OCCc2c(C)n[nH]c2C)c1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-10-14(11(2)16-15-10)7-8-18-13-6-4-5-12(9-13)17-3;/h4-6,9H,7-8H2,1-3H3,(H,15,16);1H
InChIKeyFQLFCGKZZDICSI-UHFFFAOYSA-N
XLogP3.08
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(3-chlorophenoxy)pentyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 163332805
3,5-dimethyl-4-[2-(2-methylphenoxy)ethyl]-1H-pyrazole
CID 879148
4-[4-(2-methoxyphenoxy)butyl]-3,5-dimethyl-1H-pyrazole;hydrochloride
CID 163332795
2-[3-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethoxy]phenyl]phenoxy]-N,N-dimethylethanamine
CID 171833567
3,5-dimethyl-4-[4-(4-methylphenoxy)butyl]-1H-pyrazole
CID 2057777
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110685562
(1R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376295
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline
CID 54865539
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 110717126
2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl 2-methoxybenzoate
CID 75441351

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride?
The IUPAC name of 4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride (CID 11948795) is 4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride.
What is the SMILES notation for 4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride?
The canonical SMILES for 4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride is COc1cccc(OCCc2c(C)n[nH]c2C)c1.Cl.
What is the InChIKey of 4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride?
The InChIKey is FQLFCGKZZDICSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-10-14(11(2)16-15-10)7-8-18-13-6-4-5-12(9-13)17-3;/h4-6,9H,7-8H2,1-3H3,(H,15,16);1H.
What are the key properties of 4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride?
4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenoxy)ethyl]-3,5-dimethyl-1H-pyrazole;hydrochloride is sourced from PubChem (CID 11948795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).