3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole

C14H18N2O — CID 142218711

IUPAC3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole
SMILESC=C(OCC)C1=NNC(c2ccccc2)C1C
InChIInChI=1S/C14H18N2O/c1-4-17-11(3)13-10(2)14(16-15-13)12-8-6-5-7-9-12/h5-10,14,16H,3-4H2,1-2H3
InChIKeyHEPVOENMAAHBRT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds4

About 3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole

3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole (PubChem CID 142218711) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole
PubChem CID142218711
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole
SMILESC=C(OCC)C1=NNC(c2ccccc2)C1C
InChIInChI=1S/C14H18N2O/c1-4-17-11(3)13-10(2)14(16-15-13)12-8-6-5-7-9-12/h5-10,14,16H,3-4H2,1-2H3
InChIKeyHEPVOENMAAHBRT-UHFFFAOYSA-N
XLogP2.87
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-O-ethyl 3-O-methyl (4S,5R)-4-phenyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate
CID 827561
ethyl 4-(3-methylphenyl)-3-[(E)-C-phenylcarbonohydrazonoyl]-4,5-dihydro-1H-pyrazole-5-carboxylate
CID 177489369
ethyl 3-(3-bromobenzoyl)-4-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylate
CID 139229109
ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
CID 102317060
diethyl (2R,3S,5R,6S)-4-oxo-2,6-diphenylpiperidine-3,5-dicarboxylate
CID 100887053
ethyl (3aR,6aR)-5-benzyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
CID 6542314
4-bromo-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 15808935
ethyl 3-benzoyl-4-(3-bromophenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate
CID 139229105
4-(1-ethoxyethenyl)-2-phenylpyridine
CID 141200949
ethyl (4S,5S)-5-(4-bromobenzoyl)-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 7431288
ethyl (3S,4S,5S)-2-oxo-4,5-diphenylpyrrolidine-3-carboxylate
CID 129438808
ethyl (2S,3R)-2-phenylpyrrolidine-3-carboxylate
CID 96575888

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole (CID 142218711) is 3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole is C=C(OCC)C1=NNC(c2ccccc2)C1C.
What is the InChIKey of 3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is HEPVOENMAAHBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-17-11(3)13-10(2)14(16-15-13)12-8-6-5-7-9-12/h5-10,14,16H,3-4H2,1-2H3.
What are the key properties of 3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole?
3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 230.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-4-methyl-5-phenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 142218711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).