1-methyl-4-phenoxypyrazole

C10H10N2O — CID 117229332

IUPAC1-methyl-4-phenoxypyrazole
SMILESCn1cc(Oc2ccccc2)cn1
InChIInChI=1S/C10H10N2O/c1-12-8-10(7-11-12)13-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeySIBWCXAWQMEBHS-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.21
Rot. Bonds2

About 1-methyl-4-phenoxypyrazole

1-methyl-4-phenoxypyrazole (PubChem CID 117229332) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-methyl-4-phenoxypyrazole.

Molecular Properties

Compound Name1-methyl-4-phenoxypyrazole
PubChem CID117229332
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name1-methyl-4-phenoxypyrazole
SMILESCn1cc(Oc2ccccc2)cn1
InChIInChI=1S/C10H10N2O/c1-12-8-10(7-11-12)13-9-5-3-2-4-6-9/h2-8H,1H3
InChIKeySIBWCXAWQMEBHS-UHFFFAOYSA-N
XLogP2.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-((1-methyl-1H-pyrazol-4-yl)oxy)aniline
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N-[2-(4-fluorophenoxy)ethyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 45822310
4-[3-(4-Methoxyphenoxy)propyl]-2-(pyrazol-1-ylmethyl)morpholine
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N-[2-(4-methoxyphenoxy)ethyl]-2-pyrazol-1-ylethanamine
CID 53611493
2-[4-[[4-(2-Phenoxyethyl)piperazin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 53621680
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-phenoxypropan-1-amine
CID 53625254
N-[2-(4-fluorophenoxy)ethyl]-2-pyrazol-1-ylethanamine
CID 53626005
3-phenoxy-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 53626025
4-(1-ethyl-1H-pyrazol-4-yl)-1-(3-phenoxypropyl)-1,2,3,6-tetrahydropyridine
CID 56718476
N-[2-(4-fluorophenoxy)ethyl]-1-methylpyrazol-4-amine
CID 75450237

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenoxypyrazole?
The IUPAC name of 1-methyl-4-phenoxypyrazole (CID 117229332) is 1-methyl-4-phenoxypyrazole.
What is the SMILES notation for 1-methyl-4-phenoxypyrazole?
The canonical SMILES for 1-methyl-4-phenoxypyrazole is Cn1cc(Oc2ccccc2)cn1.
What is the InChIKey of 1-methyl-4-phenoxypyrazole?
The InChIKey is SIBWCXAWQMEBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-12-8-10(7-11-12)13-9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 1-methyl-4-phenoxypyrazole?
1-methyl-4-phenoxypyrazole has a molecular weight of 174.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenoxypyrazole is sourced from PubChem (CID 117229332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).