N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide

C26H25N5 — CID 70891932

IUPACN'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide
SMILESCCC(/N=C(\Nc1ccccc1)c1ccccc1-c1ccccc1)=N\c1cc(C)[nH]n1
InChIInChI=1S/C26H25N5/c1-3-24(28-25-18-19(2)30-31-25)29-26(27-21-14-8-5-9-15-21)23-17-11-10-16-22(23)20-12-6-4-7-13-20/h4-18H,3H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyOYKSFXKJRXAGCR-UHFFFAOYSA-N
MW407.52 g/mol
LogP6.38
Rot. Bonds5

About N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide

N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide (PubChem CID 70891932) has the molecular formula C26H25N5 and a molecular weight of 407.52 g/mol. Its IUPAC name is N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide
PubChem CID70891932
Molecular FormulaC26H25N5
Molecular Weight407.52 g/mol
Exact Mass407.21
IUPAC NameN'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide
SMILESCCC(/N=C(\Nc1ccccc1)c1ccccc1-c1ccccc1)=N\c1cc(C)[nH]n1
InChIInChI=1S/C26H25N5/c1-3-24(28-25-18-19(2)30-31-25)29-26(27-21-14-8-5-9-15-21)23-17-11-10-16-22(23)20-12-6-4-7-13-20/h4-18H,3H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyOYKSFXKJRXAGCR-UHFFFAOYSA-N
XLogP6.38
TPSA65.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide?
The IUPAC name of N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide (CID 70891932) is N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide.
What is the SMILES notation for N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide?
The canonical SMILES for N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide is CCC(/N=C(\Nc1ccccc1)c1ccccc1-c1ccccc1)=N\c1cc(C)[nH]n1.
What is the InChIKey of N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide?
The InChIKey is OYKSFXKJRXAGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5/c1-3-24(28-25-18-19(2)30-31-25)29-26(27-21-14-8-5-9-15-21)23-17-11-10-16-22(23)20-12-6-4-7-13-20/h4-18H,3H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide?
N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide has a molecular weight of 407.52 g/mol, XLogP of 6.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide is sourced from PubChem (CID 70891932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).