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

C15H14IN3OS — CID 79691856

IUPAC5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)n[nH]c1-c1csc(I)c1
InChIInChI=1S/C15H14IN3OS/c1-8-3-4-11(20-2)10(5-8)13-14(18-19-15(13)17)9-6-12(16)21-7-9/h3-7H,1-2H3,(H3,17,18,19)
InChIKeyQQDQEQSHMGUSEH-UHFFFAOYSA-N
MW411.27 g/mol
LogP4.31
Rot. Bonds3

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

5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 79691856) has the molecular formula C15H14IN3OS and a molecular weight of 411.27 g/mol. Its IUPAC name is 5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
PubChem CID79691856
Molecular FormulaC15H14IN3OS
Molecular Weight411.27 g/mol
Exact Mass410.99
IUPAC Name5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(C)cc1-c1c(N)n[nH]c1-c1csc(I)c1
InChIInChI=1S/C15H14IN3OS/c1-8-3-4-11(20-2)10(5-8)13-14(18-19-15(13)17)9-6-12(16)21-7-9/h3-7H,1-2H3,(H3,17,18,19)
InChIKeyQQDQEQSHMGUSEH-UHFFFAOYSA-N
XLogP4.31
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.27
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79691857
4-(2-methoxy-5-methylphenyl)-5-pyridazin-4-yl-1H-pyrazol-3-amine
CID 104670632
5-(3-chlorothiophen-2-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 80644038
4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79693791
5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine
CID 79693706
4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 82802446
5-(2-bromofuran-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine
CID 106854526
5-(5-iodothiophen-3-yl)-4-(4-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 79691861
4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79692878
5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 107962702
2-(2-methoxy-5-methylphenyl)-4-phenyl-1,3-thiazole
CID 142708637
5-(2-methoxy-5-methylphenyl)-1H-imidazol-4-amine
CID 82469801

Frequently Asked Questions

What is the IUPAC name of 5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine (CID 79691856) is 5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine is COc1ccc(C)cc1-c1c(N)n[nH]c1-c1csc(I)c1.
What is the InChIKey of 5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is QQDQEQSHMGUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3OS/c1-8-3-4-11(20-2)10(5-8)13-14(18-19-15(13)17)9-6-12(16)21-7-9/h3-7H,1-2H3,(H3,17,18,19).
What are the key properties of 5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine?
5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 411.27 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-iodothiophen-3-yl)-4-(2-methoxy-5-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79691856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).