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

C13H18N4OS — CID 79613806

IUPAC5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide
SMILESCc1nn(C)c(C)c1CNCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H18N4OS/c1-8-12(9(2)17(3)16-8)6-15-5-11-4-10(7-19-11)13(14)18/h4,7,15H,5-6H2,1-3H3,(H2,14,18)
InChIKeyFZRGDVXTFIHHLE-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.49
Rot. Bonds5

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

5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide (PubChem CID 79613806) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide
PubChem CID79613806
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide
SMILESCc1nn(C)c(C)c1CNCc1cc(C(N)=O)cs1
InChIInChI=1S/C13H18N4OS/c1-8-12(9(2)17(3)16-8)6-15-5-11-4-10(7-19-11)13(14)18/h4,7,15H,5-6H2,1-3H3,(H2,14,18)
InChIKeyFZRGDVXTFIHHLE-UHFFFAOYSA-N
XLogP1.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide 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

1-(4-bromothiophen-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 60957957
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 79036410
5-[(pyridin-4-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79613567
5-[(2-imidazol-1-ylethylamino)methyl]thiophene-3-carboxamide
CID 79613529
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503
5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103255390
1-(5-bromothiophen-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 60743790
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
CID 115735679
N-[(3-bromothiophen-2-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 78989804

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide (CID 79613806) is 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide is Cc1nn(C)c(C)c1CNCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide?
The InChIKey is FZRGDVXTFIHHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-12(9(2)17(3)16-8)6-15-5-11-4-10(7-19-11)13(14)18/h4,7,15H,5-6H2,1-3H3,(H2,14,18).
What are the key properties of 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide?
5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).