2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide

C17H23ClN4O — CID 77091034

IUPAC2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C17H23ClN4O/c1-17(2,12-21(3)4)11-19-16(23)14-10-13(6-7-15(14)18)22-9-5-8-20-22/h5-10H,11-12H2,1-4H3,(H,19,23)
InChIKeyGSMDVJHGRNPNIX-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.84
Rot. Bonds6

About 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide

2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide (PubChem CID 77091034) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide
PubChem CID77091034
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C17H23ClN4O/c1-17(2,12-21(3)4)11-19-16(23)14-10-13(6-7-15(14)18)22-9-5-8-20-22/h5-10H,11-12H2,1-4H3,(H,19,23)
InChIKeyGSMDVJHGRNPNIX-UHFFFAOYSA-N
XLogP2.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide
CID 119059713
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide
CID 119074001
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 8502117
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide
CID 62187110
2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide
CID 77095745
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
5-amino-2,3-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 107183328
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-iodobenzamide
CID 55684463
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235756
N-(2-amino-2-methylpropyl)-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119626185
2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide
CID 119060260
2-chloro-N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-5-pyrazol-1-ylbenzamide
CID 46975356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide (CID 77091034) is 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide is CN(C)CC(C)(C)CNC(=O)c1cc(-n2cccn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide?
The InChIKey is GSMDVJHGRNPNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-17(2,12-21(3)4)11-19-16(23)14-10-13(6-7-15(14)18)22-9-5-8-20-22/h5-10H,11-12H2,1-4H3,(H,19,23).
What are the key properties of 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide?
2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide has a molecular weight of 334.85 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 77091034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).