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

C14H17N3O2S — CID 84594963

IUPAC1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)CC(=O)c2cccs2)cnn1C
InChIInChI=1S/C14H17N3O2S/c1-9(7-12(18)13-5-4-6-20-13)16-14(19)11-8-15-17(3)10(11)2/h4-6,8-9H,7H2,1-3H3,(H,16,19)
InChIKeyUUSAPLQGSNQMPX-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.18
Rot. Bonds5

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

1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide (PubChem CID 84594963) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
PubChem CID84594963
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)CC(=O)c2cccs2)cnn1C
InChIInChI=1S/C14H17N3O2S/c1-9(7-12(18)13-5-4-6-20-13)16-14(19)11-8-15-17(3)10(11)2/h4-6,8-9H,7H2,1-3H3,(H,16,19)
InChIKeyUUSAPLQGSNQMPX-UHFFFAOYSA-N
XLogP2.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide (CID 84594963) is 1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide is Cc1c(C(=O)NC(C)CC(=O)c2cccs2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide?
The InChIKey is UUSAPLQGSNQMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(7-12(18)13-5-4-6-20-13)16-14(19)11-8-15-17(3)10(11)2/h4-6,8-9H,7H2,1-3H3,(H,16,19).
What are the key properties of 1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide?
1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 84594963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).