5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide

C13H15FN4O — CID 110469727

IUPAC5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
SMILESCC(C)(NC(=O)n1nccc1N)c1ccc(F)cc1
InChIInChI=1S/C13H15FN4O/c1-13(2,9-3-5-10(14)6-4-9)17-12(19)18-11(15)7-8-16-18/h3-8H,15H2,1-2H3,(H,17,19)
InChIKeyJTDYQSVUQWLLKF-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.10
Rot. Bonds2

About 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide

5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide (PubChem CID 110469727) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
PubChem CID110469727
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
SMILESCC(C)(NC(=O)n1nccc1N)c1ccc(F)cc1
InChIInChI=1S/C13H15FN4O/c1-13(2,9-3-5-10(14)6-4-9)17-12(19)18-11(15)7-8-16-18/h3-8H,15H2,1-2H3,(H,17,19)
InChIKeyJTDYQSVUQWLLKF-UHFFFAOYSA-N
XLogP2.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
CID 110469721
5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
CID 82546188
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide
CID 110469745
2-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 82546189
2-amino-1-(5-aminopyrazol-1-yl)-2-methylpropan-1-one
CID 83617922
1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
CID 110469738
N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
CID 110470666
N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
CID 110490552
N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113216117
2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 12760511
N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide
CID 110475476
N-[2-(4-fluorophenyl)propan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484328

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide?
The IUPAC name of 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide (CID 110469727) is 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide?
The canonical SMILES for 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide is CC(C)(NC(=O)n1nccc1N)c1ccc(F)cc1.
What is the InChIKey of 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide?
The InChIKey is JTDYQSVUQWLLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-13(2,9-3-5-10(14)6-4-9)17-12(19)18-11(15)7-8-16-18/h3-8H,15H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide?
5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide is sourced from PubChem (CID 110469727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).