1-methyl-4-(2-phenoxyethoxy)pyrazole

C12H14N2O2 — CID 115753034

IUPAC1-methyl-4-(2-phenoxyethoxy)pyrazole
SMILESCn1cc(OCCOc2ccccc2)cn1
InChIInChI=1S/C12H14N2O2/c1-14-10-12(9-13-14)16-8-7-15-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyWIIYTGSCNVVMRR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.88
Rot. Bonds5

About 1-methyl-4-(2-phenoxyethoxy)pyrazole

1-methyl-4-(2-phenoxyethoxy)pyrazole (PubChem CID 115753034) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-methyl-4-(2-phenoxyethoxy)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(2-phenoxyethoxy)pyrazole
PubChem CID115753034
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-methyl-4-(2-phenoxyethoxy)pyrazole
SMILESCn1cc(OCCOc2ccccc2)cn1
InChIInChI=1S/C12H14N2O2/c1-14-10-12(9-13-14)16-8-7-15-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKeyWIIYTGSCNVVMRR-UHFFFAOYSA-N
XLogP1.88
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-phenylmethoxypyrazole
CID 84661432
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
4-(1-methylpyrazol-4-yl)oxybutane-1-thiol
CID 116794342
1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole
CID 106458443
2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol
CID 116793212
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
CID 116793588
1-methyl-4-(1-phenylethoxy)pyrazole
CID 116794115
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
CID 116794086
4-[(2-methoxyphenyl)methoxy]-1-methylpyrazole
CID 116794197

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenoxyethoxy)pyrazole?
The IUPAC name of 1-methyl-4-(2-phenoxyethoxy)pyrazole (CID 115753034) is 1-methyl-4-(2-phenoxyethoxy)pyrazole.
What is the SMILES notation for 1-methyl-4-(2-phenoxyethoxy)pyrazole?
The canonical SMILES for 1-methyl-4-(2-phenoxyethoxy)pyrazole is Cn1cc(OCCOc2ccccc2)cn1.
What is the InChIKey of 1-methyl-4-(2-phenoxyethoxy)pyrazole?
The InChIKey is WIIYTGSCNVVMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-10-12(9-13-14)16-8-7-15-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-methyl-4-(2-phenoxyethoxy)pyrazole?
1-methyl-4-(2-phenoxyethoxy)pyrazole has a molecular weight of 218.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenoxyethoxy)pyrazole is sourced from PubChem (CID 115753034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).