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

C19H20N4 — CID 52940944

IUPACN'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1cc(-c2ccccc2)nn1-c1ccccc1)N(C)C
InChIInChI=1S/C19H20N4/c1-15(22(2)3)20-19-14-18(16-10-6-4-7-11-16)21-23(19)17-12-8-5-9-13-17/h4-14H,1-3H3/b20-15+
InChIKeyZRJAGZWORDHXMZ-HMMYKYKNSA-N
MW304.40 g/mol
LogP4.15
Rot. Bonds3

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

N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide (PubChem CID 52940944) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide
PubChem CID52940944
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC NameN'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1cc(-c2ccccc2)nn1-c1ccccc1)N(C)C
InChIInChI=1S/C19H20N4/c1-15(22(2)3)20-19-14-18(16-10-6-4-7-11-16)21-23(19)17-12-8-5-9-13-17/h4-14H,1-3H3/b20-15+
InChIKeyZRJAGZWORDHXMZ-HMMYKYKNSA-N
XLogP4.15
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
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,N-dimethylethanimidamide?
The IUPAC name of N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide (CID 52940944) is N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide is C/C(=N\c1cc(-c2ccccc2)nn1-c1ccccc1)N(C)C.
What is the InChIKey of N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide?
The InChIKey is ZRJAGZWORDHXMZ-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H20N4/c1-15(22(2)3)20-19-14-18(16-10-6-4-7-11-16)21-23(19)17-12-8-5-9-13-17/h4-14H,1-3H3/b20-15+.
What are the key properties of N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide?
N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide has a molecular weight of 304.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 52940944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).