4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C12H11FN4O2 — CID 24864077

IUPAC4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCC(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O2/c1-7(18)15-10-6-14-17-11(10)12(19)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyCWQKPKYIMQTGJK-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.76
Rot. Bonds3

About 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 24864077) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID24864077
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCC(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O2/c1-7(18)15-10-6-14-17-11(10)12(19)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyCWQKPKYIMQTGJK-UHFFFAOYSA-N
XLogP1.76
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 24864077) is 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is CC(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CWQKPKYIMQTGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c1-7(18)15-10-6-14-17-11(10)12(19)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 262.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24864077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).