3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide

C14H19N3OS — CID 45106804

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCc1cc(C)n(C(C)CC(=O)NCc2cccs2)n1
InChIInChI=1S/C14H19N3OS/c1-10-7-11(2)17(16-10)12(3)8-14(18)15-9-13-5-4-6-19-13/h4-7,12H,8-9H2,1-3H3,(H,15,18)
InChIKeyMUBPILKONFNTGX-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.83
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 45106804) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID45106804
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCc1cc(C)n(C(C)CC(=O)NCc2cccs2)n1
InChIInChI=1S/C14H19N3OS/c1-10-7-11(2)17(16-10)12(3)8-14(18)15-9-13-5-4-6-19-13/h4-7,12H,8-9H2,1-3H3,(H,15,18)
InChIKeyMUBPILKONFNTGX-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-thienylmethyl)propanamide
CID 2978335
1-methyl-N-((thiophen-2-yl)methyl)-1H-pyrazole-5-carboxamide
CID 1236012
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thiophene-2-carboxamide
CID 658972
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
CID 6890314
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(thiophen-2-yl)ethan-1-one
CID 802192
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 867032
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-thienylmethyl)acetamide
CID 1101555
N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}thiophene-2-carboxamide
CID 2225442
3,5-dimethyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 4882032
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 31646009
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42285750

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 45106804) is 3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide is Cc1cc(C)n(C(C)CC(=O)NCc2cccs2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is MUBPILKONFNTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-7-11(2)17(16-10)12(3)8-14(18)15-9-13-5-4-6-19-13/h4-7,12H,8-9H2,1-3H3,(H,15,18).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 277.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 45106804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).