5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide

C20H17N5O3 — CID 90515676

IUPAC5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H17N5O3/c26-19-12-15(14-5-2-1-3-6-14)22-13-25(19)9-8-21-20(27)17-11-16(23-24-17)18-7-4-10-28-18/h1-7,10-13H,8-9H2,(H,21,27)(H,23,24)
InChIKeyWQTUQZRMUAWDCE-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.32
Rot. Bonds6

About 5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 90515676) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID90515676
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H17N5O3/c26-19-12-15(14-5-2-1-3-6-14)22-13-25(19)9-8-21-20(27)17-11-16(23-24-17)18-7-4-10-28-18/h1-7,10-13H,8-9H2,(H,21,27)(H,23,24)
InChIKeyWQTUQZRMUAWDCE-UHFFFAOYSA-N
XLogP2.32
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121119296
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 90515715
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515515
N-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 71793411
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide
CID 90515664
3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515527
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 35555970

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 90515676) is 5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide is O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is WQTUQZRMUAWDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-19-12-15(14-5-2-1-3-6-14)22-13-25(19)9-8-21-20(27)17-11-16(23-24-17)18-7-4-10-28-18/h1-7,10-13H,8-9H2,(H,21,27)(H,23,24).
What are the key properties of 5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90515676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).