N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide

C16H16ClN5O2 — CID 20646318

IUPACN'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILESCc1cc(N/C(=N/Cl)C(C)CN2C(=O)c3ccccc3C2=O)n[nH]1
InChIInChI=1S/C16H16ClN5O2/c1-9(14(19-17)18-13-7-10(2)20-21-13)8-22-15(23)11-5-3-4-6-12(11)16(22)24/h3-7,9H,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyRRCCFYNNANDIBA-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.61
Rot. Bonds4

About N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide

N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide (PubChem CID 20646318) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide.

Molecular Properties

Compound NameN'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide
PubChem CID20646318
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILESCc1cc(N/C(=N/Cl)C(C)CN2C(=O)c3ccccc3C2=O)n[nH]1
InChIInChI=1S/C16H16ClN5O2/c1-9(14(19-17)18-13-7-10(2)20-21-13)8-22-15(23)11-5-3-4-6-12(11)16(22)24/h3-7,9H,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyRRCCFYNNANDIBA-UHFFFAOYSA-N
XLogP2.61
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The IUPAC name of N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide (CID 20646318) is N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide.
What is the SMILES notation for N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The canonical SMILES for N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide is Cc1cc(N/C(=N/Cl)C(C)CN2C(=O)c3ccccc3C2=O)n[nH]1.
What is the InChIKey of N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The InChIKey is RRCCFYNNANDIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-9(14(19-17)18-13-7-10(2)20-21-13)8-22-15(23)11-5-3-4-6-12(11)16(22)24/h3-7,9H,8H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide has a molecular weight of 345.79 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide is sourced from PubChem (CID 20646318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).