(Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C24H23N5O6 — CID 136606187

IUPAC(Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C\C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)cc(=O)[nH]2)cc(OC)c1OC
InChIInChI=1S/C24H23N5O6/c1-14-10-22(31)27-24(25-14)29-20(13-16(28-29)17-6-5-9-35-17)26-21(30)8-7-15-11-18(32-2)23(34-4)19(12-15)33-3/h5-13H,1-4H3,(H,26,30)(H,25,27,31)/b8-7-
InChIKeyKGUIOFANFFSITK-FPLPWBNLSA-N
MW477.48 g/mol
LogP3.20
Rot. Bonds8

About (Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 136606187) has the molecular formula C24H23N5O6 and a molecular weight of 477.48 g/mol. Its IUPAC name is (Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID136606187
Molecular FormulaC24H23N5O6
Molecular Weight477.48 g/mol
Exact Mass477.16
IUPAC Name(Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C\C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)cc(=O)[nH]2)cc(OC)c1OC
InChIInChI=1S/C24H23N5O6/c1-14-10-22(31)27-24(25-14)29-20(13-16(28-29)17-6-5-9-35-17)26-21(30)8-7-15-11-18(32-2)23(34-4)19(12-15)33-3/h5-13H,1-4H3,(H,26,30)(H,25,27,31)/b8-7-
InChIKeyKGUIOFANFFSITK-FPLPWBNLSA-N
XLogP3.20
TPSA133.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide with MolForge

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Related Compounds

(Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 136606224
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-methoxybenzamide
CID 136606146
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide
CID 136606153
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4,5-dimethoxy-2-nitrobenzamide
CID 136606222
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]prop-2-enamide
CID 136615392
(Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide
CID 135955414
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 136606198
5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide
CID 135879855
2-(4-chlorophenoxy)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide
CID 136606191
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 136606181
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide
CID 136606228
(E)-N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 135928105

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 136606187) is (Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C\C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C)cc(=O)[nH]2)cc(OC)c1OC.
What is the InChIKey of (Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is KGUIOFANFFSITK-FPLPWBNLSA-N. The full InChI is InChI=1S/C24H23N5O6/c1-14-10-22(31)27-24(25-14)29-20(13-16(28-29)17-6-5-9-35-17)26-21(30)8-7-15-11-18(32-2)23(34-4)19(12-15)33-3/h5-13H,1-4H3,(H,26,30)(H,25,27,31)/b8-7-.
What are the key properties of (Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 477.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 136606187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).