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

C13H8ClFIN3S — CID 82802446

IUPAC4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2csc(I)c2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H8ClFIN3S/c14-8-3-1-2-7(11(8)15)10-12(18-19-13(10)17)6-4-9(16)20-5-6/h1-5H,(H3,17,18,19)
InChIKeyQVJXIIAPMQIXNN-UHFFFAOYSA-N
MW419.65 g/mol
LogP4.78
Rot. Bonds2

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

4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine (PubChem CID 82802446) has the molecular formula C13H8ClFIN3S and a molecular weight of 419.65 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
PubChem CID82802446
Molecular FormulaC13H8ClFIN3S
Molecular Weight419.65 g/mol
Exact Mass418.92
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2csc(I)c2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H8ClFIN3S/c14-8-3-1-2-7(11(8)15)10-12(18-19-13(10)17)6-4-9(16)20-5-6/h1-5H,(H3,17,18,19)
InChIKeyQVJXIIAPMQIXNN-UHFFFAOYSA-N
XLogP4.78
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.65
LogP ≤ 54.78
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

4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79693791
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626
4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79692878
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631
4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79691857
5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 79691856
5-(5-iodothiophen-3-yl)-4-(4-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 79691861
4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine
CID 82803460
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118931
5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 82802663
5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine
CID 79693706

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine (CID 82802446) is 4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2csc(I)c2)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The InChIKey is QVJXIIAPMQIXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFIN3S/c14-8-3-1-2-7(11(8)15)10-12(18-19-13(10)17)6-4-9(16)20-5-6/h1-5H,(H3,17,18,19).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine has a molecular weight of 419.65 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82802446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).