3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide

C20H20ClFN4O — CID 167771106

IUPAC3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)c1cccc(F)c1
InChIInChI=1S/C20H20ClFN4O/c1-26(2)19(14-6-4-8-16(22)10-14)12-23-20(27)18-11-17(24-25-18)13-5-3-7-15(21)9-13/h3-11,19H,12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyJBNKWTNDVXECRL-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.90
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide

3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 167771106) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID167771106
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC Name3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)c1cccc(F)c1
InChIInChI=1S/C20H20ClFN4O/c1-26(2)19(14-6-4-8-16(22)10-14)12-23-20(27)18-11-17(24-25-18)13-5-3-7-15(21)9-13/h3-11,19H,12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyJBNKWTNDVXECRL-UHFFFAOYSA-N
XLogP3.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167869393
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134220
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 97124759
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 92614346
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 42907160
2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 43017004
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 167828873

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 167771106) is 3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide is CN(C)C(CNC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)c1cccc(F)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JBNKWTNDVXECRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-26(2)19(14-6-4-8-16(22)10-14)12-23-20(27)18-11-17(24-25-18)13-5-3-7-15(21)9-13/h3-11,19H,12H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide?
3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167771106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).