2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide

C10H12N4S — CID 121213824

IUPAC2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cn(C)nc1-c1ccsc1
InChIInChI=1S/C10H12N4S/c1-14-5-8(4-9(11)12)10(13-14)7-2-3-15-6-7/h2-3,5-6H,4H2,1H3,(H3,11,12)
InChIKeyUVDCBSYFEIMDBS-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.63
Rot. Bonds3

About 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide

2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide (PubChem CID 121213824) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide
PubChem CID121213824
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cn(C)nc1-c1ccsc1
InChIInChI=1S/C10H12N4S/c1-14-5-8(4-9(11)12)10(13-14)7-2-3-15-6-7/h2-3,5-6H,4H2,1H3,(H3,11,12)
InChIKeyUVDCBSYFEIMDBS-UHFFFAOYSA-N
XLogP1.63
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide?
The IUPAC name of 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide (CID 121213824) is 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide.
What is the SMILES notation for 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide?
The canonical SMILES for 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide is [H]/N=C(\N)Cc1cn(C)nc1-c1ccsc1.
What is the InChIKey of 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide?
The InChIKey is UVDCBSYFEIMDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-14-5-8(4-9(11)12)10(13-14)7-2-3-15-6-7/h2-3,5-6H,4H2,1H3,(H3,11,12).
What are the key properties of 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide?
2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide has a molecular weight of 220.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide is sourced from PubChem (CID 121213824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).