[4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone

C25H28N4O3 — CID 86899474

IUPAC[4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCCc1ccc(-n2nc(C(=O)N3CCN(C(=O)c4ccc(C)o4)CC3)c3c2CCC3)cc1
InChIInChI=1S/C25H28N4O3/c1-3-18-8-10-19(11-9-18)29-21-6-4-5-20(21)23(26-29)25(31)28-15-13-27(14-16-28)24(30)22-12-7-17(2)32-22/h7-12H,3-6,13-16H2,1-2H3
InChIKeyRNKAWTAJHQEPSM-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.42
Rot. Bonds4

About [4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone

[4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 86899474) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID86899474
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name[4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCCc1ccc(-n2nc(C(=O)N3CCN(C(=O)c4ccc(C)o4)CC3)c3c2CCC3)cc1
InChIInChI=1S/C25H28N4O3/c1-3-18-8-10-19(11-9-18)29-21-6-4-5-20(21)23(26-29)25(31)28-15-13-27(14-16-28)24(30)22-12-7-17(2)32-22/h7-12H,3-6,13-16H2,1-2H3
InChIKeyRNKAWTAJHQEPSM-UHFFFAOYSA-N
XLogP3.42
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560090
1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251712
5-methyl-N-[1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 49358427
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488015
1-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 119176180
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119648885
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997698
2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 119171571
[4-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 119545856
[2-(aminomethyl)piperidin-1-yl]-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119466464
2,2-dimethyl-1-[4-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 55774855
phenyl-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 46680389

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone (CID 86899474) is [4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone is CCc1ccc(-n2nc(C(=O)N3CCN(C(=O)c4ccc(C)o4)CC3)c3c2CCC3)cc1.
What is the InChIKey of [4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is RNKAWTAJHQEPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-18-8-10-19(11-9-18)29-21-6-4-5-20(21)23(26-29)25(31)28-15-13-27(14-16-28)24(30)22-12-7-17(2)32-22/h7-12H,3-6,13-16H2,1-2H3.
What are the key properties of [4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone?
[4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 432.52 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 86899474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).