N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide

C16H16N4S — CID 2322865

IUPACN'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide
SMILESC/N=C(/Nc1cc(C)nn1-c1ccccc1)c1cccs1
InChIInChI=1S/C16H16N4S/c1-12-11-15(18-16(17-2)14-9-6-10-21-14)20(19-12)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,17,18)
InChIKeyLBTYJLGDSNBOLE-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.73
Rot. Bonds3

About N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide

N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide (PubChem CID 2322865) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide
PubChem CID2322865
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC NameN'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide
SMILESC/N=C(/Nc1cc(C)nn1-c1ccccc1)c1cccs1
InChIInChI=1S/C16H16N4S/c1-12-11-15(18-16(17-2)14-9-6-10-21-14)20(19-12)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,17,18)
InChIKeyLBTYJLGDSNBOLE-UHFFFAOYSA-N
XLogP3.73
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
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 N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide?
The IUPAC name of N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide (CID 2322865) is N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide?
The canonical SMILES for N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide is C/N=C(/Nc1cc(C)nn1-c1ccccc1)c1cccs1.
What is the InChIKey of N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide?
The InChIKey is LBTYJLGDSNBOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-12-11-15(18-16(17-2)14-9-6-10-21-14)20(19-12)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,17,18).
What are the key properties of N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide?
N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide has a molecular weight of 296.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide is sourced from PubChem (CID 2322865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).