N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide

C20H17N5O3 — CID 136615190

IUPACN-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C20H17N5O3/c1-2-18(26)22-17-11-15(16-9-6-10-28-16)24-25(17)20-21-14(12-19(27)23-20)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,22,26)(H,21,23,27)
InChIKeyGHFCHPTZJFKNDS-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.23
Rot. Bonds5

About N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide

N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide (PubChem CID 136615190) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
PubChem CID136615190
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C20H17N5O3/c1-2-18(26)22-17-11-15(16-9-6-10-28-16)24-25(17)20-21-14(12-19(27)23-20)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,22,26)(H,21,23,27)
InChIKeyGHFCHPTZJFKNDS-UHFFFAOYSA-N
XLogP3.23
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
CID 136615189
N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,3-diphenylpropanamide
CID 136615279
N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 135955467
N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-iodobenzamide
CID 136615235
4-fluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136615228
2-fluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 135955460
2,6-difluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136615236
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-phenylphenyl)acetamide
CID 135879852
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide
CID 136606312
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-phenylacetamide
CID 136614882
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide
CID 136606402
3-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136606405

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide?
The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide (CID 136615190) is N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide.
What is the SMILES notation for N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide?
The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide is CCC(=O)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide?
The InChIKey is GHFCHPTZJFKNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-2-18(26)22-17-11-15(16-9-6-10-28-16)24-25(17)20-21-14(12-19(27)23-20)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,22,26)(H,21,23,27).
What are the key properties of N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide?
N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide has a molecular weight of 375.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 136615190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).