3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

C15H18FN3O — CID 46705133

IUPAC3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2cccc(F)c2)nn1C
InChIInChI=1S/C15H18FN3O/c1-10(2)9-17-15(20)14-8-13(18-19(14)3)11-5-4-6-12(16)7-11/h4-8,10H,9H2,1-3H3,(H,17,20)
InChIKeyHYNVAPARJZJNQJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.61
Rot. Bonds4

About 3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 46705133) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID46705133
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2cccc(F)c2)nn1C
InChIInChI=1S/C15H18FN3O/c1-10(2)9-17-15(20)14-8-13(18-19(14)3)11-5-4-6-12(16)7-11/h4-8,10H,9H2,1-3H3,(H,17,20)
InChIKeyHYNVAPARJZJNQJ-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (CID 46705133) is 3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)CNC(=O)c1cc(-c2cccc(F)c2)nn1C.
What is the InChIKey of 3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is HYNVAPARJZJNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10(2)9-17-15(20)14-8-13(18-19(14)3)11-5-4-6-12(16)7-11/h4-8,10H,9H2,1-3H3,(H,17,20).
What are the key properties of 3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 46705133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).