5-methyl-2-phenylpyrazol-3-olate

C10H9N2O- — CID 27882981

IUPAC5-methyl-2-phenylpyrazol-3-olate
SMILESCc1cc([O-])n(-c2ccccc2)n1
InChIInChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,13H,1H3/p-1
InChIKeyPLVBQEFRONZLHO-UHFFFAOYSA-M
MW173.19 g/mol
LogP1.25
Rot. Bonds1

About 5-methyl-2-phenylpyrazol-3-olate

5-methyl-2-phenylpyrazol-3-olate (PubChem CID 27882981) has the molecular formula C10H9N2O- and a molecular weight of 173.19 g/mol. Its IUPAC name is 5-methyl-2-phenylpyrazol-3-olate.

Molecular Properties

Compound Name5-methyl-2-phenylpyrazol-3-olate
PubChem CID27882981
Molecular FormulaC10H9N2O-
Molecular Weight173.19 g/mol
Exact Mass173.07
IUPAC Name5-methyl-2-phenylpyrazol-3-olate
SMILESCc1cc([O-])n(-c2ccccc2)n1
InChIInChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,13H,1H3/p-1
InChIKeyPLVBQEFRONZLHO-UHFFFAOYSA-M
XLogP1.25
TPSA40.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrolan
CID 6888
Dimethylphenylpyrazole
CID 70800
Flupyrazofos
CID 11211184
1-(4-chlorophenyl)-5-methoxy-3-methyl-1H-pyrazole
CID 2318102
5-Ethoxy-3-methyl-1-phenylpyrazole
CID 555100
5-Methoxy-3-methyl-1-phenyl-1H-pyrazole
CID 13434128
4-Diazonio-5-methyl-2-phenylpyrazol-3-olate
CID 549225
Ethanol, 2-(3-methyl-1-phenyl-5-pyrazolyloxy)-
CID 21469
Pyrazole, 5-(2-chloroethoxy)-3-methyl-1-phenyl-
CID 199977
Propanol, 3-(3-methyl-1-phenyl-5-pyrazolyloxy)-
CID 203731
Pyrazole, 5-(3-chloropropoxy)-3-methyl-1-phenyl-
CID 203733
5-(3-(Dimethylamino)propoxy)-3-methyl-1-phenylpyrazole
CID 203739

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylpyrazol-3-olate?
The IUPAC name of 5-methyl-2-phenylpyrazol-3-olate (CID 27882981) is 5-methyl-2-phenylpyrazol-3-olate.
What is the SMILES notation for 5-methyl-2-phenylpyrazol-3-olate?
The canonical SMILES for 5-methyl-2-phenylpyrazol-3-olate is Cc1cc([O-])n(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-2-phenylpyrazol-3-olate?
The InChIKey is PLVBQEFRONZLHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,13H,1H3/p-1.
What are the key properties of 5-methyl-2-phenylpyrazol-3-olate?
5-methyl-2-phenylpyrazol-3-olate has a molecular weight of 173.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylpyrazol-3-olate is sourced from PubChem (CID 27882981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).