[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone

C16H11FIN3O — CID 70103361

IUPAC[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(I)c1
InChIInChI=1S/C16H11FIN3O/c17-11-6-4-9(5-7-11)14-13(16(19)21-20-14)15(22)10-2-1-3-12(18)8-10/h1-8H,(H3,19,20,21)
InChIKeyAFAXMXAFRPJJHF-UHFFFAOYSA-N
MW407.19 g/mol
LogP3.63
Rot. Bonds3

About [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone

[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone (PubChem CID 70103361) has the molecular formula C16H11FIN3O and a molecular weight of 407.19 g/mol. Its IUPAC name is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone.

Molecular Properties

Compound Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone
PubChem CID70103361
Molecular FormulaC16H11FIN3O
Molecular Weight407.19 g/mol
Exact Mass406.99
IUPAC Name[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(I)c1
InChIInChI=1S/C16H11FIN3O/c17-11-6-4-9(5-7-11)14-13(16(19)21-20-14)15(22)10-2-1-3-12(18)8-10/h1-8H,(H3,19,20,21)
InChIKeyAFAXMXAFRPJJHF-UHFFFAOYSA-N
XLogP3.63
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.19
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ketone, 4-amino-5-phenyl-3-pyrazolyl phenyl
CID 13303395
(5-methyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 10777890
3-amino-5-phenyl-1H-pyrazole-4-carboxamide
CID 14775202
Diphenyl-1h-pyrazole-4-carbaldehyde
CID 15486749
1-[5-(cyclohexen-1-ylmethyl)-3-phenyl-1H-pyrazol-4-yl]ethanone
CID 135064258
3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbohydrazide
CID 3592853
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-phenylmethanone
CID 15451927
1-[3-[3-amino-5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]phenyl]-2-bromoethanone
CID 22616285
[3-(2-aminoethyl)phenyl]-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 24861476
1-[3-(3-fluorophenyl)-5-phenyl-1H-pyrazol-4-yl]ethanone
CID 54513158
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[2-(1-hydroxycyclopentyl)ethyl]phenyl]methanone
CID 67013209
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 67014080

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone?
The IUPAC name of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone (CID 70103361) is [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone.
What is the SMILES notation for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone?
The canonical SMILES for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone is Nc1n[nH]c(-c2ccc(F)cc2)c1C(=O)c1cccc(I)c1.
What is the InChIKey of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone?
The InChIKey is AFAXMXAFRPJJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FIN3O/c17-11-6-4-9(5-7-11)14-13(16(19)21-20-14)15(22)10-2-1-3-12(18)8-10/h1-8H,(H3,19,20,21).
What are the key properties of [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone?
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone has a molecular weight of 407.19 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-iodophenyl)methanone is sourced from PubChem (CID 70103361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).