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

C14H17N3O2S — CID 75387929

IUPAC2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CC(=O)c2cccs2)n(C)n1
InChIInChI=1S/C14H17N3O2S/c1-9(8-12(18)13-5-4-6-20-13)15-14(19)11-7-10(2)16-17(11)3/h4-7,9H,8H2,1-3H3,(H,15,19)
InChIKeyYVEQYDZBIDNPKM-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.18
Rot. Bonds5

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

2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide (PubChem CID 75387929) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide
PubChem CID75387929
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CC(=O)c2cccs2)n(C)n1
InChIInChI=1S/C14H17N3O2S/c1-9(8-12(18)13-5-4-6-20-13)15-14(19)11-7-10(2)16-17(11)3/h4-7,9H,8H2,1-3H3,(H,15,19)
InChIKeyYVEQYDZBIDNPKM-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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Related Compounds

Pyrazole scaffold, 7c
CID 25218475
1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
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-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(thiophen-2-YL)ethyl]propanamide
CID 20919719
{3,5-dimethyl-4-[(thiophen-2-ylcarbonyl)amino]-1H-pyrazol-1-yl}acetic acid
CID 1503471
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 129226288
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(thiophen-2-YL)methyl]propanamide
CID 20919700
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24792052
4-bromo-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-5-ethyl-2-thiophenecarboxamide
CID 1245602
5-methyl-2-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
CID 5214853
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(thiophen-2-YL)methyl]acetamide
CID 20919610

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide (CID 75387929) is 2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)CC(=O)c2cccs2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide?
The InChIKey is YVEQYDZBIDNPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(8-12(18)13-5-4-6-20-13)15-14(19)11-7-10(2)16-17(11)3/h4-7,9H,8H2,1-3H3,(H,15,19).
What are the key properties of 2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide?
2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-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 2,5-dimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 75387929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).