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

C26H21N5O3 — CID 136606312

IUPACN-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C26H21N5O3/c1-2-20-15-24(32)29-26(27-20)31-23(16-21(30-31)22-9-6-14-34-22)28-25(33)19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-16H,2H2,1H3,(H,28,33)(H,27,29,32)
InChIKeyUTBOGBRXPPNDQF-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.70
Rot. Bonds6

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

N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide (PubChem CID 136606312) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide
PubChem CID136606312
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC NameN-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C26H21N5O3/c1-2-20-15-24(32)29-26(27-20)31-23(16-21(30-31)22-9-6-14-34-22)28-25(33)19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-16H,2H2,1H3,(H,28,33)(H,27,29,32)
InChIKeyUTBOGBRXPPNDQF-UHFFFAOYSA-N
XLogP4.70
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide with MolForge

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Related Compounds

N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide
CID 136606274
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 136606309
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide
CID 136606306
4-fluoro-N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136615228
2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide
CID 136606257
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-methoxybenzamide
CID 136606146
2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide
CID 136606294
3-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136606433
N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136615190
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide
CID 136606518
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 136606457
N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
CID 136615189

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide?
The IUPAC name of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide (CID 136606312) is N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide?
The canonical SMILES for N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide is CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide?
The InChIKey is UTBOGBRXPPNDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-2-20-15-24(32)29-26(27-20)31-23(16-21(30-31)22-9-6-14-34-22)28-25(33)19-12-10-18(11-13-19)17-7-4-3-5-8-17/h3-16H,2H2,1H3,(H,28,33)(H,27,29,32).
What are the key properties of N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide?
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide has a molecular weight of 451.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide is sourced from PubChem (CID 136606312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).