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

C17H16N4 — CID 52942057

IUPACN-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide
SMILESC/N=C/Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H16N4/c1-18-13-19-17-12-16(14-8-4-2-5-9-14)20-21(17)15-10-6-3-7-11-15/h2-13H,1H3,(H,18,19)
InChIKeyKNYPOPRYOUDBCJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.61
Rot. Bonds4

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

N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide (PubChem CID 52942057) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide
PubChem CID52942057
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide
SMILESC/N=C/Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H16N4/c1-18-13-19-17-12-16(14-8-4-2-5-9-14)20-21(17)15-10-6-3-7-11-15/h2-13H,1H3,(H,18,19)
InChIKeyKNYPOPRYOUDBCJ-UHFFFAOYSA-N
XLogP3.61
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.61
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'-methylmethanimidamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide (CID 52942057) is N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide is C/N=C/Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide?
The InChIKey is KNYPOPRYOUDBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-18-13-19-17-12-16(14-8-4-2-5-9-14)20-21(17)15-10-6-3-7-11-15/h2-13H,1H3,(H,18,19).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide?
N-(1,3-diphenylpyrazol-5-yl)-N'-methylmethanimidamide has a molecular weight of 276.34 g/mol, XLogP of 3.61, 4 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'-methylmethanimidamide is sourced from PubChem (CID 52942057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).