N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide

C18H20N4OS — CID 95265878

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cn[nH]c1-c1ccccc1)c1cccs1
InChIInChI=1S/C18H20N4OS/c1-22(2)15(16-9-6-10-24-16)12-19-18(23)14-11-20-21-17(14)13-7-4-3-5-8-13/h3-11,15H,12H2,1-2H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyXNXMBYQMBLKZGS-OAHLLOKOSA-N
MW340.45 g/mol
LogP3.17
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 95265878) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID95265878
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cn[nH]c1-c1ccccc1)c1cccs1
InChIInChI=1S/C18H20N4OS/c1-22(2)15(16-9-6-10-24-16)12-19-18(23)14-11-20-21-17(14)13-7-4-3-5-8-13/h3-11,15H,12H2,1-2H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyXNXMBYQMBLKZGS-OAHLLOKOSA-N
XLogP3.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 95265878) is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide is CN(C)[C@H](CNC(=O)c1cn[nH]c1-c1ccccc1)c1cccs1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is XNXMBYQMBLKZGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-22(2)15(16-9-6-10-24-16)12-19-18(23)14-11-20-21-17(14)13-7-4-3-5-8-13/h3-11,15H,12H2,1-2H3,(H,19,23)(H,20,21)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95265878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).