ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate

C17H18N2O2 — CID 162418781

IUPACethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate
SMILESCCOC(=O)C1=NNC(C)(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H18N2O2/c1-3-21-16(20)15-11-17(2,19-18-15)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,19H,3,11H2,1-2H3
InChIKeyVXMYNIUWPBMIGO-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.97
Rot. Bonds3

About ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate

ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate (PubChem CID 162418781) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate
PubChem CID162418781
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Nameethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate
SMILESCCOC(=O)C1=NNC(C)(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H18N2O2/c1-3-21-16(20)15-11-17(2,19-18-15)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,19H,3,11H2,1-2H3
InChIKeyVXMYNIUWPBMIGO-UHFFFAOYSA-N
XLogP2.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Carbethoxy-5-trifluoromethyl-5-(p-tolyl)-2-pyrazoline
CID 14874566
methyl 5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 272629
Dimethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate
CID 13017116
methyl 4-methylidene-5,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 134811626
Pent-4-ynyl 5-methyl-5-phenyl-1,4-dihydropyrazole-3-carboxylate
CID 162419321
Diethyl 5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate
CID 4575855
methyl 4,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 11834979
ethyl spiro[1,4-dihydropyrazole-5,3'-2,4-dihydro-1H-naphthalene]-3-carboxylate
CID 66809847
CID 170722085
CID 170722085
methyl (4S,5R)-4,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 827537
diethyl (4R)-5,5-diphenyl-1,4-dihydropyrazole-3,4-dicarboxylate
CID 1036393
Ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate
CID 3402197

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate (CID 162418781) is ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate is CCOC(=O)C1=NNC(C)(c2ccc3ccccc3c2)C1.
What is the InChIKey of ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate?
The InChIKey is VXMYNIUWPBMIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-21-16(20)15-11-17(2,19-18-15)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,19H,3,11H2,1-2H3.
What are the key properties of ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate?
ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-5-naphthalen-2-yl-1,4-dihydropyrazole-3-carboxylate is sourced from PubChem (CID 162418781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).