4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide

C14H13N3O2S2 — CID 71982647

IUPAC4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccnn2Cc2ccsc2)c1
InChIInChI=1S/C14H13N3O2S2/c1-19-11-6-12(21-9-11)14(18)16-13-2-4-15-17(13)7-10-3-5-20-8-10/h2-6,8-9H,7H2,1H3,(H,16,18)
InChIKeyVMSYRIGZXOVJCM-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.32
Rot. Bonds5

About 4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide

4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 71982647) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID71982647
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2ccnn2Cc2ccsc2)c1
InChIInChI=1S/C14H13N3O2S2/c1-19-11-6-12(21-9-11)14(18)16-13-2-4-15-17(13)7-10-3-5-20-8-10/h2-6,8-9H,7H2,1H3,(H,16,18)
InChIKeyVMSYRIGZXOVJCM-UHFFFAOYSA-N
XLogP3.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 71982647) is 4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide is COc1csc(C(=O)Nc2ccnn2Cc2ccsc2)c1.
What is the InChIKey of 4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is VMSYRIGZXOVJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-19-11-6-12(21-9-11)14(18)16-13-2-4-15-17(13)7-10-3-5-20-8-10/h2-6,8-9H,7H2,1H3,(H,16,18).
What are the key properties of 4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide?
4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(thiophen-3-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71982647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).