methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate

C18H16N2O2S — CID 58657112

IUPACmethyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccn(C/C=C/c3ccccc3)n2)s1
InChIInChI=1S/C18H16N2O2S/c1-22-18(21)17-10-9-16(23-17)15-11-13-20(19-15)12-5-8-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3/b8-5+
InChIKeyKGZHGYQRNCMUJU-VMPITWQZSA-N
MW324.41 g/mol
LogP4.11
Rot. Bonds5

About methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate

methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate (PubChem CID 58657112) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate
PubChem CID58657112
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Namemethyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccn(C/C=C/c3ccccc3)n2)s1
InChIInChI=1S/C18H16N2O2S/c1-22-18(21)17-10-9-16(23-17)15-11-13-20(19-15)12-5-8-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3/b8-5+
InChIKeyKGZHGYQRNCMUJU-VMPITWQZSA-N
XLogP4.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 5-[1-(isoquinolin-1-ylmethyl)pyrazol-3-yl]thiophene-2-carboxylate
CID 58657150
methyl 5-[1-[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrazol-3-yl]thiophene-2-carboxylate
CID 174491176
methyl 5-[6-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate
CID 175242860
methyl 5-[1-[2-(3,5-difluoroanilino)-2-oxoethyl]pyrazol-3-yl]thiophene-2-carboxylate
CID 58657074
methyl 5-[5-(2-phenylethenylamino)-2-pyridinyl]thiophene-2-carboxylate
CID 174490532
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
methyl 4-[(E)-3-phenylprop-2-enyl]-1-benzothiophene-2-carboxylate
CID 19007343
methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzoate
CID 8544540
methyl 5-[6-(phenylmethoxymethyl)-2-pyridinyl]thiophene-2-carboxylate
CID 58657287
methyl 5-(2-bromophenyl)thiophene-2-carboxylate
CID 117222348
5-[6-[methyl(2-phenylethenyl)amino]-2-pyridinyl]thiophene-2-carboxylic acid
CID 174490456
1-[1-(3-phenylprop-2-enyl)pyrrol-2-yl]ethanone
CID 79107239

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate (CID 58657112) is methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate is COC(=O)c1ccc(-c2ccn(C/C=C/c3ccccc3)n2)s1.
What is the InChIKey of methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate?
The InChIKey is KGZHGYQRNCMUJU-VMPITWQZSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-22-18(21)17-10-9-16(23-17)15-11-13-20(19-15)12-5-8-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3/b8-5+.
What are the key properties of methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate?
methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate has a molecular weight of 324.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(E)-3-phenylprop-2-enyl]pyrazol-3-yl]thiophene-2-carboxylate is sourced from PubChem (CID 58657112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).