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

C11H14IN3S — CID 115808279

IUPAC(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)c2csc(I)c2)cn1
InChIInChI=1S/C11H14IN3S/c1-2-3-15-6-9(5-14-15)11(13)8-4-10(12)16-7-8/h4-7,11H,2-3,13H2,1H3
InChIKeyHGXICJIVFFMBRI-UHFFFAOYSA-N
MW347.23 g/mol
LogP3.01
Rot. Bonds4

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

(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine (PubChem CID 115808279) has the molecular formula C11H14IN3S and a molecular weight of 347.23 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
PubChem CID115808279
Molecular FormulaC11H14IN3S
Molecular Weight347.23 g/mol
Exact Mass347.00
IUPAC Name(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)c2csc(I)c2)cn1
InChIInChI=1S/C11H14IN3S/c1-2-3-15-6-9(5-14-15)11(13)8-4-10(12)16-7-8/h4-7,11H,2-3,13H2,1H3
InChIKeyHGXICJIVFFMBRI-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963905
4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105103926
(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
CID 115808100
N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808897
(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115807748
4-butan-2-yl-1-propylpyrazole
CID 130194925
(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 130530394
(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 104789813
(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
CID 115807774
2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 62798450
(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
CID 113398477
(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine
CID 115853519

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine (CID 115808279) is (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(N)c2csc(I)c2)cn1.
What is the InChIKey of (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is HGXICJIVFFMBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3S/c1-2-3-15-6-9(5-14-15)11(13)8-4-10(12)16-7-8/h4-7,11H,2-3,13H2,1H3.
What are the key properties of (5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine?
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 347.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 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)methanamine is sourced from PubChem (CID 115808279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).