N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C18H19FN4OS — CID 46592063

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C18H19FN4OS/c1-23(2)16(13-7-8-25-11-13)10-20-18(24)15-9-21-22-17(15)12-3-5-14(19)6-4-12/h3-9,11,16H,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyKZVAFRLYUIORJW-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 46592063) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID46592063
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1ccsc1
InChIInChI=1S/C18H19FN4OS/c1-23(2)16(13-7-8-25-11-13)10-20-18(24)15-9-21-22-17(15)12-3-5-14(19)6-4-12/h3-9,11,16H,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyKZVAFRLYUIORJW-UHFFFAOYSA-N
XLogP3.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 46592063) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is CN(C)C(CNC(=O)c1cn[nH]c1-c1ccc(F)cc1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KZVAFRLYUIORJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-23(2)16(13-7-8-25-11-13)10-20-18(24)15-9-21-22-17(15)12-3-5-14(19)6-4-12/h3-9,11,16H,10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 46592063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).