5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide

C15H19FN4O — CID 82188861

IUPAC5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4O/c1-3-4-9-19(2)15(21)13-10-14(17)20(18-13)12-7-5-11(16)6-8-12/h5-8,10H,3-4,9,17H2,1-2H3
InChIKeyVYJFEDJSLHSANO-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.47
Rot. Bonds5

About 5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide

5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 82188861) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide
PubChem CID82188861
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4O/c1-3-4-9-19(2)15(21)13-10-14(17)20(18-13)12-7-5-11(16)6-8-12/h5-8,10H,3-4,9,17H2,1-2H3
InChIKeyVYJFEDJSLHSANO-UHFFFAOYSA-N
XLogP2.47
TPSA64.15 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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-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 5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide (CID 82188861) is 5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide is CCCCN(C)C(=O)c1cc(N)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is VYJFEDJSLHSANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-3-4-9-19(2)15(21)13-10-14(17)20(18-13)12-7-5-11(16)6-8-12/h5-8,10H,3-4,9,17H2,1-2H3.
What are the key properties of 5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide?
5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 82188861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).