(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone

C11H11IN2OS — CID 114963905

IUPAC(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2csc(I)c2)cn1
InChIInChI=1S/C11H11IN2OS/c1-2-3-14-6-9(5-13-14)11(15)8-4-10(12)16-7-8/h4-7H,2-3H2,1H3
InChIKeyHQCUZWIHVHNUHL-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.19
Rot. Bonds4

About (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone

(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone (PubChem CID 114963905) has the molecular formula C11H11IN2OS and a molecular weight of 346.19 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone
PubChem CID114963905
Molecular FormulaC11H11IN2OS
Molecular Weight346.19 g/mol
Exact Mass345.96
IUPAC Name(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)c2csc(I)c2)cn1
InChIInChI=1S/C11H11IN2OS/c1-2-3-14-6-9(5-13-14)11(15)8-4-10(12)16-7-8/h4-7H,2-3H2,1H3
InChIKeyHQCUZWIHVHNUHL-UHFFFAOYSA-N
XLogP3.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 105083231
(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963805
(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963774
naphthalen-2-yl-(1-propylpyrazol-4-yl)methanone
CID 62715712
(1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
CID 105082119
1-benzothiophen-3-yl-(1-propylpyrazol-4-yl)methanone
CID 114963887
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808279
(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963861
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
(2-bromo-4-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963862
(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 81274285
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone (CID 114963905) is (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)c2csc(I)c2)cn1.
What is the InChIKey of (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone?
The InChIKey is HQCUZWIHVHNUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2OS/c1-2-3-14-6-9(5-13-14)11(15)8-4-10(12)16-7-8/h4-7H,2-3H2,1H3.
What are the key properties of (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone?
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone has a molecular weight of 346.19 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 114963905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).