1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide

C18H14ClN3O2S — CID 25006991

IUPAC1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1Cc1cc(Cl)cc2cc(-c3ccsc3)oc12
InChIInChI=1S/C18H14ClN3O2S/c1-10-4-15(18(20)23)21-22(10)8-13-6-14(19)5-12-7-16(24-17(12)13)11-2-3-25-9-11/h2-7,9H,8H2,1H3,(H2,20,23)
InChIKeyLMRMTUYQPACHHQ-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.47
Rot. Bonds4

About 1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide

1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide (PubChem CID 25006991) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide
PubChem CID25006991
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1Cc1cc(Cl)cc2cc(-c3ccsc3)oc12
InChIInChI=1S/C18H14ClN3O2S/c1-10-4-15(18(20)23)21-22(10)8-13-6-14(19)5-12-7-16(24-17(12)13)11-2-3-25-9-11/h2-7,9H,8H2,1H3,(H2,20,23)
InChIKeyLMRMTUYQPACHHQ-UHFFFAOYSA-N
XLogP4.47
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide (CID 25006991) is 1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(N)=O)nn1Cc1cc(Cl)cc2cc(-c3ccsc3)oc12.
What is the InChIKey of 1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is LMRMTUYQPACHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c1-10-4-15(18(20)23)21-22(10)8-13-6-14(19)5-12-7-16(24-17(12)13)11-2-3-25-9-11/h2-7,9H,8H2,1H3,(H2,20,23).
What are the key properties of 1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide?
1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-thiophen-3-yl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25006991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).