5-ethoxy-3-methyl-1-phenylpyrazole

C12H14N2O — CID 555100

IUPAC5-ethoxy-3-methyl-1-phenylpyrazole
SMILESCCOc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C12H14N2O/c1-3-15-12-9-10(2)13-14(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyHIXKUHSBZQQDHA-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.58
Rot. Bonds3

About 5-ethoxy-3-methyl-1-phenylpyrazole

5-ethoxy-3-methyl-1-phenylpyrazole (PubChem CID 555100) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-ethoxy-3-methyl-1-phenylpyrazole
PubChem CID555100
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-ethoxy-3-methyl-1-phenylpyrazole
SMILESCCOc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C12H14N2O/c1-3-15-12-9-10(2)13-14(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyHIXKUHSBZQQDHA-UHFFFAOYSA-N
XLogP2.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrolan
CID 6888
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
4-[2-[1-(4-Methoxyphenyl)-5-methylpyrazol-3-yl]oxyethyl]morpholine
CID 11544226
4-[2-(5-Methyl-1-phenylpyrazol-3-yl)oxyethyl]morpholine
CID 71456959
1-(4-chlorophenyl)-5-methoxy-3-methyl-1H-pyrazole
CID 2318102
1H-Pyrazole-3-carboxamide, 5-butoxy-1-phenyl-
CID 3043187
Pyrazole, 5-(2-(dimethylamino)ethoxy)-3-methyl-1-phenyl-
CID 199978
Pyrazole, 5-(2,3-epoxypropoxy)-3-methyl-1-phenyl-
CID 203735
N-[dimethylamino-(5-ethoxy-3-methyl-1-phenylpyrazol-4-yl)phosphinothioyl]-N-methylmethanamine
CID 2420535
(5-Methyl-2-phenylpyrazol-3-yl) 3-nitrooxypropyl carbonate
CID 56951057
(5-Methyl-2-phenylpyrazol-3-yl) 6-nitrooxyhexyl carbonate
CID 71451649
(5-Methyl-2-phenylpyrazol-3-yl) 2,2-dimethyl-3-nitrooxypropanoate
CID 71453482

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-1-phenylpyrazole?
The IUPAC name of 5-ethoxy-3-methyl-1-phenylpyrazole (CID 555100) is 5-ethoxy-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 5-ethoxy-3-methyl-1-phenylpyrazole?
The canonical SMILES for 5-ethoxy-3-methyl-1-phenylpyrazole is CCOc1cc(C)nn1-c1ccccc1.
What is the InChIKey of 5-ethoxy-3-methyl-1-phenylpyrazole?
The InChIKey is HIXKUHSBZQQDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-15-12-9-10(2)13-14(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of 5-ethoxy-3-methyl-1-phenylpyrazole?
5-ethoxy-3-methyl-1-phenylpyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 555100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).