N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide

C15H15FN4O — CID 104780732

IUPACN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(F)c(C#CCN)c1)n1cccn1
InChIInChI=1S/C15H15FN4O/c1-11(20-9-3-8-18-20)15(21)19-13-5-6-14(16)12(10-13)4-2-7-17/h3,5-6,8-11H,7,17H2,1H3,(H,19,21)
InChIKeyVMFJOYZQOSEOOF-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.53
Rot. Bonds3

About N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide

N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 104780732) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide
PubChem CID104780732
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(F)c(C#CCN)c1)n1cccn1
InChIInChI=1S/C15H15FN4O/c1-11(20-9-3-8-18-20)15(21)19-13-5-6-14(16)12(10-13)4-2-7-17/h3,5-6,8-11H,7,17H2,1H3,(H,19,21)
InChIKeyVMFJOYZQOSEOOF-UHFFFAOYSA-N
XLogP1.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide
CID 65433321
5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 60567572
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 104780767
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 61067736
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
CID 119717826
(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 97320876
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-phenylacetamide
CID 104780831
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methoxyacetamide
CID 113452395

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide (CID 104780732) is N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccc(F)c(C#CCN)c1)n1cccn1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is VMFJOYZQOSEOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-11(20-9-3-8-18-20)15(21)19-13-5-6-14(16)12(10-13)4-2-7-17/h3,5-6,8-11H,7,17H2,1H3,(H,19,21).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide?
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 286.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 104780732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).