N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

C15H17FN4O2 — CID 38047231

IUPACN-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(=O)NCCCNC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O2/c1-11(21)17-8-2-9-18-15(22)14-7-10-20(19-14)13-5-3-12(16)4-6-13/h3-7,10H,2,8-9H2,1H3,(H,17,21)(H,18,22)
InChIKeyHGQLSICPKDKMKB-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.27
Rot. Bonds6

About N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 38047231) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID38047231
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC NameN-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(=O)NCCCNC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN4O2/c1-11(21)17-8-2-9-18-15(22)14-7-10-20(19-14)13-5-3-12(16)4-6-13/h3-7,10H,2,8-9H2,1H3,(H,17,21)(H,18,22)
InChIKeyHGQLSICPKDKMKB-UHFFFAOYSA-N
XLogP1.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38827016
N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 55650471
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide
CID 111662239
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63981332
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
1-(4-fluorophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazole-3-carboxamide
CID 39515050
1-(4-aminophenyl)-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 43475362
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38825065

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 38047231) is N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is CC(=O)NCCCNC(=O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is HGQLSICPKDKMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-11(21)17-8-2-9-18-15(22)14-7-10-20(19-14)13-5-3-12(16)4-6-13/h3-7,10H,2,8-9H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 38047231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).