[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone

C16H14N2O2S — CID 2740628

IUPAC[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2cn(C(=O)c3cccs3)nc2C)cc1
InChIInChI=1S/C16H14N2O2S/c1-11-14(12-5-7-13(20-2)8-6-12)10-18(17-11)16(19)15-4-3-9-21-15/h3-10H,1-2H3
InChIKeyDMMUNGRJPXEETA-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.62
Rot. Bonds3

About [4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone

[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 2740628) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone
PubChem CID2740628
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(-c2cn(C(=O)c3cccs3)nc2C)cc1
InChIInChI=1S/C16H14N2O2S/c1-11-14(12-5-7-13(20-2)8-6-12)10-18(17-11)16(19)15-4-3-9-21-15/h3-10H,1-2H3
InChIKeyDMMUNGRJPXEETA-UHFFFAOYSA-N
XLogP3.62
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone (CID 2740628) is [4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone is COc1ccc(-c2cn(C(=O)c3cccs3)nc2C)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is DMMUNGRJPXEETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-14(12-5-7-13(20-2)8-6-12)10-18(17-11)16(19)15-4-3-9-21-15/h3-10H,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone?
[4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 298.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2740628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).