N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide

C6H7FIN3O — CID 130614280

IUPACN-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(NCCF)c1[nH]ncc1I
InChIInChI=1S/C6H7FIN3O/c7-1-2-9-6(12)5-4(8)3-10-11-5/h3H,1-2H2,(H,9,12)(H,10,11)
InChIKeyFHTJBFZLHMEHHN-UHFFFAOYSA-N
MW283.04 g/mol
LogP0.71
Rot. Bonds3

About N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide

N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide (PubChem CID 130614280) has the molecular formula C6H7FIN3O and a molecular weight of 283.04 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide
PubChem CID130614280
Molecular FormulaC6H7FIN3O
Molecular Weight283.04 g/mol
Exact Mass282.96
IUPAC NameN-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide
SMILESO=C(NCCF)c1[nH]ncc1I
InChIInChI=1S/C6H7FIN3O/c7-1-2-9-6(12)5-4(8)3-10-11-5/h3H,1-2H2,(H,9,12)(H,10,11)
InChIKeyFHTJBFZLHMEHHN-UHFFFAOYSA-N
XLogP0.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479985
N-(1-adamantylmethyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 19479917
N-(2-aminoethyl)-4-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19768638
N-(1-adamantyl)-4-iodo-1H-pyrazole-5-carboxamide
CID 19479778
4-iodo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19479801
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479833
N-[1-(4-butan-2-ylphenyl)propyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479862
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
4-bromo-N-hexyl-1H-pyrazole-5-carboxamide
CID 19511210
4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide
CID 19479455
4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
CID 63101763

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide (CID 130614280) is N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide is O=C(NCCF)c1[nH]ncc1I.
What is the InChIKey of N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide?
The InChIKey is FHTJBFZLHMEHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FIN3O/c7-1-2-9-6(12)5-4(8)3-10-11-5/h3H,1-2H2,(H,9,12)(H,10,11).
What are the key properties of N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide?
N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide has a molecular weight of 283.04 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4-iodo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 130614280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).