1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide

C15H19N3O2S — CID 84589932

IUPAC1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC(C)CC(=O)c1cccs1
InChIInChI=1S/C15H19N3O2S/c1-9(8-12(19)13-6-5-7-21-13)16-15(20)14-10(2)17-18(4)11(14)3/h5-7,9H,8H2,1-4H3,(H,16,20)
InChIKeyVZMRHLUFUMKNDR-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.49
Rot. Bonds5

About 1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide

1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide (PubChem CID 84589932) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
PubChem CID84589932
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC(C)CC(=O)c1cccs1
InChIInChI=1S/C15H19N3O2S/c1-9(8-12(19)13-6-5-7-21-13)16-15(20)14-10(2)17-18(4)11(14)3/h5-7,9H,8H2,1-4H3,(H,16,20)
InChIKeyVZMRHLUFUMKNDR-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-trimethyl-N-[(2S)-4-oxo-4-phenylbutan-2-yl]pyrazole-4-carboxamide
CID 97065090
5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide
CID 97330247
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 75387926
(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide
CID 97240926
1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 99933458
4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide
CID 84589934
4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97240938
6-methyl-2-oxo-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]-1H-pyridine-3-carboxamide
CID 97240890
N-(5-chloropentan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114305784
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide
CID 75387931
3-methyl-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]but-2-enamide
CID 97240896
N-but-3-yn-2-yl-1,3,5-trimethylpyrazole-4-carboxamide
CID 114389977

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide (CID 84589932) is 1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC(C)CC(=O)c1cccs1.
What is the InChIKey of 1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide?
The InChIKey is VZMRHLUFUMKNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9(8-12(19)13-6-5-7-21-13)16-15(20)14-10(2)17-18(4)11(14)3/h5-7,9H,8H2,1-4H3,(H,16,20).
What are the key properties of 1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide?
1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 84589932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).