2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide

C14H17N3OS — CID 5308543

IUPAC2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCc1cccs1
InChIInChI=1S/C14H17N3OS/c18-14(15-8-12-5-3-7-19-12)10-17-9-11-4-1-2-6-13(11)16-17/h3,5,7,9H,1-2,4,6,8,10H2,(H,15,18)
InChIKeyXVYBSOWAOIXVLV-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.14
Rot. Bonds4

About 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5308543) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5308543
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCc1cccs1
InChIInChI=1S/C14H17N3OS/c18-14(15-8-12-5-3-7-19-12)10-17-9-11-4-1-2-6-13(11)16-17/h3,5,7,9H,1-2,4,6,8,10H2,(H,15,18)
InChIKeyXVYBSOWAOIXVLV-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 5308543) is 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cc2c(n1)CCCC2)NCc1cccs1.
What is the InChIKey of 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XVYBSOWAOIXVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c18-14(15-8-12-5-3-7-19-12)10-17-9-11-4-1-2-6-13(11)16-17/h3,5,7,9H,1-2,4,6,8,10H2,(H,15,18).
What are the key properties of 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5308543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).