N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide

C20H22N4O — CID 71913359

IUPACN,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide
SMILESCc1ccc(NCc2ccccc2-n2cccn2)cc1C(=O)N(C)C
InChIInChI=1S/C20H22N4O/c1-15-9-10-17(13-18(15)20(25)23(2)3)21-14-16-7-4-5-8-19(16)24-12-6-11-22-24/h4-13,21H,14H2,1-3H3
InChIKeyWODWJRKWAKJIHK-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.49
Rot. Bonds5

About N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide

N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide (PubChem CID 71913359) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide
PubChem CID71913359
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide
SMILESCc1ccc(NCc2ccccc2-n2cccn2)cc1C(=O)N(C)C
InChIInChI=1S/C20H22N4O/c1-15-9-10-17(13-18(15)20(25)23(2)3)21-14-16-7-4-5-8-19(16)24-12-6-11-22-24/h4-13,21H,14H2,1-3H3
InChIKeyWODWJRKWAKJIHK-UHFFFAOYSA-N
XLogP3.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide?
The IUPAC name of N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide (CID 71913359) is N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide.
What is the SMILES notation for N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide?
The canonical SMILES for N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide is Cc1ccc(NCc2ccccc2-n2cccn2)cc1C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide?
The InChIKey is WODWJRKWAKJIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-9-10-17(13-18(15)20(25)23(2)3)21-14-16-7-4-5-8-19(16)24-12-6-11-22-24/h4-13,21H,14H2,1-3H3.
What are the key properties of N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide?
N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide is sourced from PubChem (CID 71913359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).