N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide

C20H19ClN4O2 — CID 131893479

IUPACN'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide
SMILESCc1c(Cl)cccc1NC(=O)CC(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C20H19ClN4O2/c1-14-16(21)7-4-8-17(14)24-20(27)12-19(26)22-13-15-6-2-3-9-18(15)25-11-5-10-23-25/h2-11H,12-13H2,1H3,(H,22,26)(H,24,27)
InChIKeyPZFVUEYVTDDTLX-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.48
Rot. Bonds6

About N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide

N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide (PubChem CID 131893479) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide
PubChem CID131893479
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide
SMILESCc1c(Cl)cccc1NC(=O)CC(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C20H19ClN4O2/c1-14-16(21)7-4-8-17(14)24-20(27)12-19(26)22-13-15-6-2-3-9-18(15)25-11-5-10-23-25/h2-11H,12-13H2,1H3,(H,22,26)(H,24,27)
InChIKeyPZFVUEYVTDDTLX-UHFFFAOYSA-N
XLogP3.48
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946920
N-[(2-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108946597
N'-(3-chloro-2-methylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947833
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide
CID 108946674
4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 81087122
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N-(3-chloro-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 2671408
3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 81083953
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide (CID 131893479) is N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide is Cc1c(Cl)cccc1NC(=O)CC(=O)NCc1ccccc1-n1cccn1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide?
The InChIKey is PZFVUEYVTDDTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-14-16(21)7-4-8-17(14)24-20(27)12-19(26)22-13-15-6-2-3-9-18(15)25-11-5-10-23-25/h2-11H,12-13H2,1H3,(H,22,26)(H,24,27).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide?
N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide has a molecular weight of 382.85 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide is sourced from PubChem (CID 131893479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).