4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine

C8H8IN3S — CID 4556095

IUPAC4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2I)s1
InChIInChI=1S/C8H8IN3S/c1-4-2-3-5(13-4)7-6(9)8(10)12-11-7/h2-3H,1H3,(H3,10,11,12)
InChIKeyLDAYPBIRQMDNRQ-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.63
Rot. Bonds1

About 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine

4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 4556095) has the molecular formula C8H8IN3S and a molecular weight of 305.14 g/mol. Its IUPAC name is 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID4556095
Molecular FormulaC8H8IN3S
Molecular Weight305.14 g/mol
Exact Mass304.95
IUPAC Name4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2I)s1
InChIInChI=1S/C8H8IN3S/c1-4-2-3-5(13-4)7-6(9)8(10)12-11-7/h2-3H,1H3,(H3,10,11,12)
InChIKeyLDAYPBIRQMDNRQ-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

5-(5-methylthiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
CID 79405287
4-iodo-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 3755108
4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 3812694
4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 43561020
5-(5-chlorothiophen-2-yl)-4-methyl-1H-pyrazol-3-amine
CID 62276882
4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3705848
5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3613182
5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine
CID 62278595
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
CID 79405503
5-(2-ethylsulfanyl-5-methylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3420577
5-(4-benzylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3766427

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine (CID 4556095) is 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine is Cc1ccc(-c2[nH]nc(N)c2I)s1.
What is the InChIKey of 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is LDAYPBIRQMDNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3S/c1-4-2-3-5(13-4)7-6(9)8(10)12-11-7/h2-3H,1H3,(H3,10,11,12).
What are the key properties of 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
4-iodo-5-(5-methylthiophen-2-yl)-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 4-iodo-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 4556095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).