N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide

C16H17N5O2S — CID 136604738

IUPACN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C16H17N5O2S/c1-3-5-14(22)18-13-9-11(12-6-4-7-24-12)20-21(13)16-17-10(2)8-15(23)19-16/h4,6-9H,3,5H2,1-2H3,(H,18,22)(H,17,19,23)
InChIKeyHWWACKAHVIAWOH-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.73
Rot. Bonds5

About N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide (PubChem CID 136604738) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
PubChem CID136604738
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C16H17N5O2S/c1-3-5-14(22)18-13-9-11(12-6-4-7-24-12)20-21(13)16-17-10(2)8-15(23)19-16/h4,6-9H,3,5H2,1-2H3,(H,18,22)(H,17,19,23)
InChIKeyHWWACKAHVIAWOH-UHFFFAOYSA-N
XLogP2.73
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 136604747
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 136604797
2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 136604798
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentanecarboxamide
CID 136604744
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
CID 136636644
N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 136605545
2-ethylsulfanyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 135912450
3,4,5-trimethoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 135912404
4-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]thiadiazole-5-carboxamide
CID 136636616
2,5-dimethyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-3-carboxamide
CID 136636634
3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
CID 136605009
3-(dimethylamino)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136636628

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide?
The IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide (CID 136604738) is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide.
What is the SMILES notation for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide?
The canonical SMILES for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide is CCCC(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)cc(=O)[nH]1.
What is the InChIKey of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide?
The InChIKey is HWWACKAHVIAWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-3-5-14(22)18-13-9-11(12-6-4-7-24-12)20-21(13)16-17-10(2)8-15(23)19-16/h4,6-9H,3,5H2,1-2H3,(H,18,22)(H,17,19,23).
What are the key properties of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide?
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide has a molecular weight of 343.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide is sourced from PubChem (CID 136604738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).