4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine

C13H9FIN3S — CID 79693791

IUPAC4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2csc(I)c2)c1-c1ccccc1F
InChIInChI=1S/C13H9FIN3S/c14-9-4-2-1-3-8(9)11-12(17-18-13(11)16)7-5-10(15)19-6-7/h1-6H,(H3,16,17,18)
InChIKeyYNTPTXBVJMQBIY-UHFFFAOYSA-N
MW385.21 g/mol
LogP4.13
Rot. Bonds2

About 4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine

4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine (PubChem CID 79693791) has the molecular formula C13H9FIN3S and a molecular weight of 385.21 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
PubChem CID79693791
Molecular FormulaC13H9FIN3S
Molecular Weight385.21 g/mol
Exact Mass384.95
IUPAC Name4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2csc(I)c2)c1-c1ccccc1F
InChIInChI=1S/C13H9FIN3S/c14-9-4-2-1-3-8(9)11-12(17-18-13(11)16)7-5-10(15)19-6-7/h1-6H,(H3,16,17,18)
InChIKeyYNTPTXBVJMQBIY-UHFFFAOYSA-N
XLogP4.13
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine (CID 79693791) is 4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2csc(I)c2)c1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The InChIKey is YNTPTXBVJMQBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FIN3S/c14-9-4-2-1-3-8(9)11-12(17-18-13(11)16)7-5-10(15)19-6-7/h1-6H,(H3,16,17,18).
What are the key properties of 4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine has a molecular weight of 385.21 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79693791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).