(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone

C15H12N2O2S — CID 2814854

IUPAC(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESCOc1cccc(C(=O)n2ccc(-c3cccs3)n2)c1
InChIInChI=1S/C15H12N2O2S/c1-19-12-5-2-4-11(10-12)15(18)17-8-7-13(16-17)14-6-3-9-20-14/h2-10H,1H3
InChIKeyALABAPCHJRVPCB-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.31
Rot. Bonds3

About (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone

(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone (PubChem CID 2814854) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
PubChem CID2814854
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESCOc1cccc(C(=O)n2ccc(-c3cccs3)n2)c1
InChIInChI=1S/C15H12N2O2S/c1-19-12-5-2-4-11(10-12)15(18)17-8-7-13(16-17)14-6-3-9-20-14/h2-10H,1H3
InChIKeyALABAPCHJRVPCB-UHFFFAOYSA-N
XLogP3.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}-3-methyl-2-thiophenecarbohydrazide
CID 5433216
1-(2-cyanoethyl)-N-(4-methoxyphenyl)-3-(2-thienyl)-1H-pyrazole-4-carboxamide
CID 2529435
3-[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1-(2-thienyl)-2-propen-1-one
CID 5739268
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 16546563
5-(1-(2-(4-methoxybenzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 44418169
(E)-1-(2,5-dimethoxyphenyl)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 137633154
1-[5-(4-methoxyphenyl)-1'-phenyl-3'-(thiophen-2-yl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazole]-2-yl]propan-1-one
CID 16279959
(E)-1-(3,4-dimethoxyphenyl)-3-(1-phenyl-3-thiophen-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 137643303
[3-(2,3-Dihydro-1-benzofuran-5-yl)pyrazol-1-yl]-thiophen-2-ylmethanone
CID 2821373
N-(3-methoxybenzyl)-2-[4-oxo-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
CID 16016732
2-(3-Methoxyphenyl)-5-(thiophene-3-carbonyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine
CID 53186265
N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)-4-(trifluoromethoxy)benzamide
CID 71808156

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone (CID 2814854) is (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone is COc1cccc(C(=O)n2ccc(-c3cccs3)n2)c1.
What is the InChIKey of (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The InChIKey is ALABAPCHJRVPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-12-5-2-4-11(10-12)15(18)17-8-7-13(16-17)14-6-3-9-20-14/h2-10H,1H3.
What are the key properties of (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone?
(3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone has a molecular weight of 284.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(3-thiophen-2-ylpyrazol-1-yl)methanone is sourced from PubChem (CID 2814854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).