N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C15H18FN3O — CID 42758555

IUPACN-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C15H18FN3O/c1-4-10(2)17-15(20)14-9-13(18-19(14)3)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,17,20)
InChIKeyBPTYMGLNXOFXRK-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.75
Rot. Bonds4

About N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 42758555) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID42758555
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C15H18FN3O/c1-4-10(2)17-15(20)14-9-13(18-19(14)3)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,17,20)
InChIKeyBPTYMGLNXOFXRK-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 42758555) is N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is CCC(C)NC(=O)c1cc(-c2ccc(F)cc2)nn1C.
What is the InChIKey of N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is BPTYMGLNXOFXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-10(2)17-15(20)14-9-13(18-19(14)3)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,17,20).
What are the key properties of N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 42758555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).