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

C8H8IN3S — CID 79693706

IUPAC5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1csc(I)c1
InChIInChI=1S/C8H8IN3S/c1-4-7(11-12-8(4)10)5-2-6(9)13-3-5/h2-3H,1H3,(H3,10,11,12)
InChIKeyDQXDQTVUUORZES-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.63
Rot. Bonds1

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

5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine (PubChem CID 79693706) has the molecular formula C8H8IN3S and a molecular weight of 305.14 g/mol. Its IUPAC name is 5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine
PubChem CID79693706
Molecular FormulaC8H8IN3S
Molecular Weight305.14 g/mol
Exact Mass304.95
IUPAC Name5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1csc(I)c1
InChIInChI=1S/C8H8IN3S/c1-4-7(11-12-8(4)10)5-2-6(9)13-3-5/h2-3H,1H3,(H3,10,11,12)
InChIKeyDQXDQTVUUORZES-UHFFFAOYSA-N
XLogP2.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.63
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

3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 523184
4-Methyl-5-(2-thienyl)-1H-pyrazol-3-amine
CID 3159690
3-methyl-4-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 3815550
3-ethyl-4-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16653076
3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 24710268
3-(5-methylthiophen-2-yl)-1H-pyrazol-5-amine
CID 3837601
3-(3-methylthiophen-2-yl)-1H-pyrazol-5-amine
CID 24702210
3-amino-5-thiophen-3-yl-1H-pyrazole-4-carbonitrile
CID 85665867
N-(5-thiophen-3-yl-1H-pyrazol-3-yl)propane-1-sulfonamide
CID 75483445
4-(4-phenylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 67787784
3-(2'-Thienyl)-4,5-dimethylpyrazole
CID 129809166
4-(Thiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 28812038

Frequently Asked Questions

What is the IUPAC name of 5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine (CID 79693706) is 5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine is Cc1c(N)n[nH]c1-c1csc(I)c1.
What is the InChIKey of 5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine?
The InChIKey is DQXDQTVUUORZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3S/c1-4-7(11-12-8(4)10)5-2-6(9)13-3-5/h2-3H,1H3,(H3,10,11,12).
What are the key properties of 5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine?
5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine has a molecular weight of 305.14 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 79693706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).