5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide

C12H14IN3OS — CID 79036410

IUPAC5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1csc(I)c1
InChIInChI=1S/C12H14IN3OS/c1-7-10(8(2)16(3)15-7)5-14-12(17)9-4-11(13)18-6-9/h4,6H,5H2,1-3H3,(H,14,17)
InChIKeyYVUJDYFXNNNBFT-UHFFFAOYSA-N
MW375.24 g/mol
LogP2.63
Rot. Bonds3

About 5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide

5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 79036410) has the molecular formula C12H14IN3OS and a molecular weight of 375.24 g/mol. Its IUPAC name is 5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
PubChem CID79036410
Molecular FormulaC12H14IN3OS
Molecular Weight375.24 g/mol
Exact Mass374.99
IUPAC Name5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1csc(I)c1
InChIInChI=1S/C12H14IN3OS/c1-7-10(8(2)16(3)15-7)5-14-12(17)9-4-11(13)18-6-9/h4,6H,5H2,1-3H3,(H,14,17)
InChIKeyYVUJDYFXNNNBFT-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 52.63
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

4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 78950124
5-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79038700
4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110444483
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
2-hydroxy-5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 103713370
2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79237744
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 35525163
3-bromo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 79036382
2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79036395
5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide
CID 79613806

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide (CID 79036410) is 5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide is Cc1nn(C)c(C)c1CNC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is YVUJDYFXNNNBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3OS/c1-7-10(8(2)16(3)15-7)5-14-12(17)9-4-11(13)18-6-9/h4,6H,5H2,1-3H3,(H,14,17).
What are the key properties of 5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 375.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79036410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).