methyl 3-phenyl-1H-pyrazole-5-carboxylate

C11H10N2O2 — CID 644585

IUPACmethyl 3-phenyl-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKeyROXAFVODFXYSFO-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.86
Rot. Bonds2

About methyl 3-phenyl-1H-pyrazole-5-carboxylate

methyl 3-phenyl-1H-pyrazole-5-carboxylate (PubChem CID 644585) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 3-phenyl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenyl-1H-pyrazole-5-carboxylate
PubChem CID644585
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Namemethyl 3-phenyl-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H10N2O2/c1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKeyROXAFVODFXYSFO-UHFFFAOYSA-N
XLogP1.86
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
methyl 3-(3-bromophenyl)-1H-pyrazole-5-carboxylate
CID 45496305
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
methyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 121205112
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
methyl 3-(3,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 154024628
methyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 121205064
N-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-pyrazole-5-carboxamide
CID 82723163
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
methyl 2-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 45030489
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate
CID 18092590
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-phenyl-1H-pyrazole-5-carboxylate (CID 644585) is methyl 3-phenyl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-phenyl-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-phenyl-1H-pyrazole-5-carboxylate is COC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of methyl 3-phenyl-1H-pyrazole-5-carboxylate?
The InChIKey is ROXAFVODFXYSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13).
What are the key properties of methyl 3-phenyl-1H-pyrazole-5-carboxylate?
methyl 3-phenyl-1H-pyrazole-5-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 644585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).