N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide

C15H19FN4O — CID 812295

IUPACN-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2F)nn1C
InChIInChI=1S/C15H19FN4O/c1-19(2)9-8-17-15(21)14-10-13(18-20(14)3)11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyZCRKMILNJPERCU-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.52
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 812295) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID812295
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2F)nn1C
InChIInChI=1S/C15H19FN4O/c1-19(2)9-8-17-15(21)14-10-13(18-20(14)3)11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyZCRKMILNJPERCU-UHFFFAOYSA-N
XLogP1.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 812295) is N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccccc2F)nn1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is ZCRKMILNJPERCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-19(2)9-8-17-15(21)14-10-13(18-20(14)3)11-6-4-5-7-12(11)16/h4-7,10H,8-9H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 812295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).