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

C13H9ClIN3S — CID 79692878

IUPAC4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2csc(I)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClIN3S/c14-9-3-1-2-7(4-9)11-12(17-18-13(11)16)8-5-10(15)19-6-8/h1-6H,(H3,16,17,18)
InChIKeyVZSOCMBMZWAIOB-UHFFFAOYSA-N
MW401.66 g/mol
LogP4.65
Rot. Bonds2

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

4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine (PubChem CID 79692878) has the molecular formula C13H9ClIN3S and a molecular weight of 401.66 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
PubChem CID79692878
Molecular FormulaC13H9ClIN3S
Molecular Weight401.66 g/mol
Exact Mass400.93
IUPAC Name4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2csc(I)c2)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClIN3S/c14-9-3-1-2-7(4-9)11-12(17-18-13(11)16)8-5-10(15)19-6-8/h1-6H,(H3,16,17,18)
InChIKeyVZSOCMBMZWAIOB-UHFFFAOYSA-N
XLogP4.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.66
LogP ≤ 54.65
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-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 82802446
5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63524514
5-(5-iodothiophen-3-yl)-4-(4-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 79691861
4-(5-chloro-2-methoxyphenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79691857
4-(2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 79693791
4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821013
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107955139
5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine
CID 79693706
4-(3-chlorophenyl)-5-(2,3-difluorophenyl)-1H-pyrazol-3-amine
CID 62648934
4-(3-chlorophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153045
5-(3-bromo-5-chlorophenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 107955102

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine (CID 79692878) is 4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2csc(I)c2)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
The InChIKey is VZSOCMBMZWAIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClIN3S/c14-9-3-1-2-7(4-9)11-12(17-18-13(11)16)8-5-10(15)19-6-8/h1-6H,(H3,16,17,18).
What are the key properties of 4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine?
4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine has a molecular weight of 401.66 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 79692878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).