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

C19H20N4 — CID 52940872

IUPACN-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide
SMILESCC/C(=N\C)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C19H20N4/c1-3-18(20-2)21-19-14-17(15-10-6-4-7-11-15)22-23(19)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3,(H,20,21)
InChIKeyUGUCKYHPXPFIMG-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.39
Rot. Bonds4

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

N-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide (PubChem CID 52940872) 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'-methylpropanimidamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide
PubChem CID52940872
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide
SMILESCC/C(=N\C)Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C19H20N4/c1-3-18(20-2)21-19-14-17(15-10-6-4-7-11-15)22-23(19)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3,(H,20,21)
InChIKeyUGUCKYHPXPFIMG-UHFFFAOYSA-N
XLogP4.39
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.39
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'-methylpropanimidamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide (CID 52940872) is N-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide is CC/C(=N\C)Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide?
The InChIKey is UGUCKYHPXPFIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-3-18(20-2)21-19-14-17(15-10-6-4-7-11-15)22-23(19)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide?
N-(1,3-diphenylpyrazol-5-yl)-N'-methylpropanimidamide has a molecular weight of 304.40 g/mol, XLogP of 4.39, 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'-methylpropanimidamide is sourced from PubChem (CID 52940872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).