5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide

C12H12FN3O2 — CID 134102072

IUPAC5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
SMILESCC(=O)C1=NN(c2ccc(F)cc2)C(C(N)=O)C1
InChIInChI=1S/C12H12FN3O2/c1-7(17)10-6-11(12(14)18)16(15-10)9-4-2-8(13)3-5-9/h2-5,11H,6H2,1H3,(H2,14,18)
InChIKeyBPOOSMJAOMXPEQ-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.83
Rot. Bonds3

About 5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide

5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide (PubChem CID 134102072) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
PubChem CID134102072
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
SMILESCC(=O)C1=NN(c2ccc(F)cc2)C(C(N)=O)C1
InChIInChI=1S/C12H12FN3O2/c1-7(17)10-6-11(12(14)18)16(15-10)9-4-2-8(13)3-5-9/h2-5,11H,6H2,1H3,(H2,14,18)
InChIKeyBPOOSMJAOMXPEQ-UHFFFAOYSA-N
XLogP0.83
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of 5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide (CID 134102072) is 5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for 5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide is CC(=O)C1=NN(c2ccc(F)cc2)C(C(N)=O)C1.
What is the InChIKey of 5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is BPOOSMJAOMXPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7(17)10-6-11(12(14)18)16(15-10)9-4-2-8(13)3-5-9/h2-5,11H,6H2,1H3,(H2,14,18).
What are the key properties of 5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide?
5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 134102072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).