N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide

C18H18N4 — CID 52945700

IUPACN-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide
SMILESC/N=C(\C)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C18H18N4/c1-14(19-2)20-18-13-17(15-9-5-3-6-10-15)21-22(18)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,19,20)
InChIKeyXBDQNPNDADJTQC-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.00
Rot. Bonds3

About N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide

N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide (PubChem CID 52945700) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide
PubChem CID52945700
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide
SMILESC/N=C(\C)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C18H18N4/c1-14(19-2)20-18-13-17(15-9-5-3-6-10-15)21-22(18)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,19,20)
InChIKeyXBDQNPNDADJTQC-UHFFFAOYSA-N
XLogP4.00
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide (CID 52945700) is N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide is C/N=C(\C)Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide?
The InChIKey is XBDQNPNDADJTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-14(19-2)20-18-13-17(15-9-5-3-6-10-15)21-22(18)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,19,20).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide?
N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide has a molecular weight of 290.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-N'-methylethanimidamide is sourced from PubChem (CID 52945700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).