N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide

C18H17ClN4O — CID 55369232

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H17ClN4O/c1-22(2)17-9-6-14(19)12-16(17)21-18(24)13-4-7-15(8-5-13)23-11-3-10-20-23/h3-12H,1-2H3,(H,21,24)
InChIKeyAEMWXDIIINOOFI-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.84
Rot. Bonds4

About N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide

N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide (PubChem CID 55369232) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide
PubChem CID55369232
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H17ClN4O/c1-22(2)17-9-6-14(19)12-16(17)21-18(24)13-4-7-15(8-5-13)23-11-3-10-20-23/h3-12H,1-2H3,(H,21,24)
InChIKeyAEMWXDIIINOOFI-UHFFFAOYSA-N
XLogP3.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
N-(3,5-dichlorophenyl)-4-pyrazol-1-ylbenzamide
CID 46813346
N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60630528
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
CID 55336201
N-[5-chloro-2-(dimethylamino)phenyl]-2-fluoropyridine-4-carboxamide
CID 60565434
N-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 43020845
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 56580879
N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
CID 71758813
N-(6-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzamide
CID 35505245

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide (CID 55369232) is N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide is CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is AEMWXDIIINOOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-22(2)17-9-6-14(19)12-16(17)21-18(24)13-4-7-15(8-5-13)23-11-3-10-20-23/h3-12H,1-2H3,(H,21,24).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide?
N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 340.81 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 55369232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).