dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C24H23N3O5 — CID 980133

IUPACdimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C24H23N3O5/c1-14-19(23(28)30-3)21(20(15(2)25-14)24(29)31-4)17-13-27(16-9-6-5-7-10-16)26-22(17)18-11-8-12-32-18/h5-13,21,25H,1-4H3
InChIKeyPPLRFVYTEQPNJM-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.71
Rot. Bonds5

About dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 980133) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID980133
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Namedimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccco1
InChIInChI=1S/C24H23N3O5/c1-14-19(23(28)30-3)21(20(15(2)25-14)24(29)31-4)17-13-27(16-9-6-5-7-10-16)26-22(17)18-11-8-12-32-18/h5-13,21,25H,1-4H3
InChIKeyPPLRFVYTEQPNJM-UHFFFAOYSA-N
XLogP3.71
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

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Related Compounds

3-(5-Methylfuran-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 818637
(2E)-3-(3-(1-benzofuran-2-yl)-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid
CID 805325
3-[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
CID 876610
[3-(2-furyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 877185
3-(2-furyl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 977044
N-benzyl-N-{[3-(5-methyl-2-furyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-2-furamide
CID 1288057
4-[Benzyl-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobutanoic acid
CID 2121573
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 2121904
isopropyl 3-(2-furyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 2200688
Ethyl 3-(furan-2-yl)-1-(4-methylphenyl)pyrazole-5-carboxylate
CID 2366791
3-(5-Methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 2412347
diethyl 4-[3-(2-furyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 2891841

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 980133) is dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccco1.
What is the InChIKey of dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is PPLRFVYTEQPNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-14-19(23(28)30-3)21(20(15(2)25-14)24(29)31-4)17-13-27(16-9-6-5-7-10-16)26-22(17)18-11-8-12-32-18/h5-13,21,25H,1-4H3.
What are the key properties of dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 433.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 980133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).