(2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate

C20H20N2O3 — CID 99807865

IUPAC(2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
SMILESCc1ccccc1-n1nc(C(=O)OCc2ccoc2C)c2c1CCC2
InChIInChI=1S/C20H20N2O3/c1-13-6-3-4-8-17(13)22-18-9-5-7-16(18)19(21-22)20(23)25-12-15-10-11-24-14(15)2/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3
InChIKeyQQZHHHLICUVFJJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.93
Rot. Bonds4

About (2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate

(2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate (PubChem CID 99807865) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate.

Molecular Properties

Compound Name(2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
PubChem CID99807865
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
SMILESCc1ccccc1-n1nc(C(=O)OCc2ccoc2C)c2c1CCC2
InChIInChI=1S/C20H20N2O3/c1-13-6-3-4-8-17(13)22-18-9-5-7-16(18)19(21-22)20(23)25-12-15-10-11-24-14(15)2/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3
InChIKeyQQZHHHLICUVFJJ-UHFFFAOYSA-N
XLogP3.93
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The IUPAC name of (2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate (CID 99807865) is (2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate.
What is the SMILES notation for (2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The canonical SMILES for (2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate is Cc1ccccc1-n1nc(C(=O)OCc2ccoc2C)c2c1CCC2.
What is the InChIKey of (2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The InChIKey is QQZHHHLICUVFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-6-3-4-8-17(13)22-18-9-5-7-16(18)19(21-22)20(23)25-12-15-10-11-24-14(15)2/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3.
What are the key properties of (2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
(2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)methyl 1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate is sourced from PubChem (CID 99807865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).