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

C24H22N4 — CID 52942147

IUPACN'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide
SMILESCN(C)/C(=N/c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N4/c1-27(2)24(20-14-8-4-9-15-20)25-23-18-22(19-12-6-3-7-13-19)26-28(23)21-16-10-5-11-17-21/h3-18H,1-2H3/b25-24+
InChIKeyGIZAYUPIYQTNSL-OCOZRVBESA-N
MW366.47 g/mol
LogP5.18
Rot. Bonds4

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

N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide (PubChem CID 52942147) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide
PubChem CID52942147
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC NameN'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide
SMILESCN(C)/C(=N/c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N4/c1-27(2)24(20-14-8-4-9-15-20)25-23-18-22(19-12-6-3-7-13-19)26-28(23)21-16-10-5-11-17-21/h3-18H,1-2H3/b25-24+
InChIKeyGIZAYUPIYQTNSL-OCOZRVBESA-N
XLogP5.18
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.18
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-dimethylbenzenecarboximidamide?
The IUPAC name of N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide (CID 52942147) is N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide is CN(C)/C(=N/c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide?
The InChIKey is GIZAYUPIYQTNSL-OCOZRVBESA-N. The full InChI is InChI=1S/C24H22N4/c1-27(2)24(20-14-8-4-9-15-20)25-23-18-22(19-12-6-3-7-13-19)26-28(23)21-16-10-5-11-17-21/h3-18H,1-2H3/b25-24+.
What are the key properties of N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide?
N'-(1,3-diphenylpyrazol-5-yl)-N,N-dimethylbenzenecarboximidamide has a molecular weight of 366.47 g/mol, XLogP of 5.18, 4 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-dimethylbenzenecarboximidamide is sourced from PubChem (CID 52942147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).