N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide

C18H15N5O3S — CID 136604958

IUPACN-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccco2)n1
InChIInChI=1S/C18H15N5O3S/c1-2-11-9-16(24)21-18(19-11)23-15(20-17(25)13-5-3-7-26-13)10-12(22-23)14-6-4-8-27-14/h3-10H,2H2,1H3,(H,20,25)(H,19,21,24)
InChIKeySDKHPIFIKQMFSS-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.09
Rot. Bonds5

About N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide

N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide (PubChem CID 136604958) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
PubChem CID136604958
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC NameN-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccco2)n1
InChIInChI=1S/C18H15N5O3S/c1-2-11-9-16(24)21-18(19-11)23-15(20-17(25)13-5-3-7-26-13)10-12(22-23)14-6-4-8-27-14/h3-10H,2H2,1H3,(H,20,25)(H,19,21,24)
InChIKeySDKHPIFIKQMFSS-UHFFFAOYSA-N
XLogP3.09
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136604869
N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
CID 135912517
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-3,3-diphenylpropanamide
CID 136604951
4-(diethylsulfamoyl)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136604954
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 136604928
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 136604932
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136604988
2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
CID 136605017
3-bromo-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605047
3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605024
2-(4-chlorophenoxy)-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylpropanamide
CID 136604924
N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-3,3-diphenylpropanamide
CID 136605106

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide (CID 136604958) is N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide is CCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccco2)n1.
What is the InChIKey of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?
The InChIKey is SDKHPIFIKQMFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-2-11-9-16(24)21-18(19-11)23-15(20-17(25)13-5-3-7-26-13)10-12(22-23)14-6-4-8-27-14/h3-10H,2H2,1H3,(H,20,25)(H,19,21,24).
What are the key properties of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide?
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 136604958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).