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

C13H14FN3O — CID 110469721

IUPACN-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
SMILESCC(C)(NC(=O)n1cccn1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O/c1-13(2,10-4-6-11(14)7-5-10)16-12(18)17-9-3-8-15-17/h3-9H,1-2H3,(H,16,18)
InChIKeyXNXSCFAHFGYWHM-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.52
Rot. Bonds2

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

N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide (PubChem CID 110469721) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
PubChem CID110469721
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
SMILESCC(C)(NC(=O)n1cccn1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O/c1-13(2,10-4-6-11(14)7-5-10)16-12(18)17-9-3-8-15-17/h3-9H,1-2H3,(H,16,18)
InChIKeyXNXSCFAHFGYWHM-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)pyrazole-1-carboxamide
CID 3631055
5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
CID 110469727
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide
CID 110469745
N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113216117
1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
CID 110469738
N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
CID 110470666
2-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 82546189
5-amino-N-[2-(4-fluorophenyl)propan-2-yl]-1-methylpyrazole-4-carboxamide
CID 82546188
N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
CID 110490552
3-amino-N-(2-phenylpropan-2-yl)-1,2,4-triazole-1-carboxamide
CID 110490504
2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 12760511
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)propan-2-yl]acetamide
CID 110443030

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide (CID 110469721) is N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide is CC(C)(NC(=O)n1cccn1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide?
The InChIKey is XNXSCFAHFGYWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-13(2,10-4-6-11(14)7-5-10)16-12(18)17-9-3-8-15-17/h3-9H,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide?
N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide is sourced from PubChem (CID 110469721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).