methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate

C11H12N2O2 — CID 59664794

IUPACmethyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
SMILESCOC(=O)C1=NNCC1c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-15-11(14)10-9(7-12-13-10)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3
InChIKeyYHZRCMAQGASKTA-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.90
Rot. Bonds2

About methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate

methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate (PubChem CID 59664794) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
PubChem CID59664794
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
SMILESCOC(=O)C1=NNCC1c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-15-11(14)10-9(7-12-13-10)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3
InChIKeyYHZRCMAQGASKTA-UHFFFAOYSA-N
XLogP0.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate?
The IUPAC name of methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate (CID 59664794) is methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate is COC(=O)C1=NNCC1c1ccccc1.
What is the InChIKey of methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate?
The InChIKey is YHZRCMAQGASKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-11(14)10-9(7-12-13-10)8-5-3-2-4-6-8/h2-6,9,12H,7H2,1H3.
What are the key properties of methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate?
methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 59664794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).