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

C17H17N5O2S — CID 136636644

IUPACN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C2CCC2)n1
InChIInChI=1S/C17H17N5O2S/c1-10-8-15(23)20-17(18-10)22-14(19-16(24)11-4-2-5-11)9-12(21-22)13-6-3-7-25-13/h3,6-9,11H,2,4-5H2,1H3,(H,19,24)(H,18,20,23)
InChIKeyXVJBFSWLJNCATL-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.73
Rot. Bonds4

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

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide (PubChem CID 136636644) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
PubChem CID136636644
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C2CCC2)n1
InChIInChI=1S/C17H17N5O2S/c1-10-8-15(23)20-17(18-10)22-14(19-16(24)11-4-2-5-11)9-12(21-22)13-6-3-7-25-13/h3,6-9,11H,2,4-5H2,1H3,(H,19,24)(H,18,20,23)
InChIKeyXVJBFSWLJNCATL-UHFFFAOYSA-N
XLogP2.73
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentanecarboxamide
CID 136604744
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]butanamide
CID 136604738
N-[3-tert-butyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 136636609
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
3,4,5-trimethoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 135912404
3-(dimethylamino)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136636628
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 136604797
2-ethylsulfanyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 135912450
2-(3-methoxyphenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 136604798
2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136636632

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]cyclobutanecarboxamide?
The IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide (CID 136636644) is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide is Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C2CCC2)n1.
What is the InChIKey of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide?
The InChIKey is XVJBFSWLJNCATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10-8-15(23)20-17(18-10)22-14(19-16(24)11-4-2-5-11)9-12(21-22)13-6-3-7-25-13/h3,6-9,11H,2,4-5H2,1H3,(H,19,24)(H,18,20,23).
What are the key properties of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide?
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.73, 4 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]cyclobutanecarboxamide is sourced from PubChem (CID 136636644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).