1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone

C25H28N4O2 — CID 11935359

IUPAC1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccc(C2=NN(C(=O)CN3CCC[C@@H]3c3cccn3C)[C@@H](c3ccco3)C2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-9-11-19(12-10-18)20-16-23(24-8-5-15-31-24)29(26-20)25(30)17-28-14-4-7-22(28)21-6-3-13-27(21)2/h3,5-6,8-13,15,22-23H,4,7,14,16-17H2,1-2H3/t22-,23-/m1/s1
InChIKeyDHJUTNOVWOMMNL-DHIUTWEWSA-N
MW416.53 g/mol
LogP4.44
Rot. Bonds5

About 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone

1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 11935359) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID11935359
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccc(C2=NN(C(=O)CN3CCC[C@@H]3c3cccn3C)[C@@H](c3ccco3)C2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-9-11-19(12-10-18)20-16-23(24-8-5-15-31-24)29(26-20)25(30)17-28-14-4-7-22(28)21-6-3-13-27(21)2/h3,5-6,8-13,15,22-23H,4,7,14,16-17H2,1-2H3/t22-,23-/m1/s1
InChIKeyDHJUTNOVWOMMNL-DHIUTWEWSA-N
XLogP4.44
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 25485061
1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 7407270
2-cyclopentylsulfanyl-1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 7398239
1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 51887082
1-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 8530671
2-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 7960044
1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 17427107
5-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 3146335
1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylsulfanylethanone
CID 166182196
3-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 45029538
1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(furan-2-ylmethylsulfanyl)ethanone
CID 78761682
1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 3791502

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone (CID 11935359) is 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone is Cc1ccc(C2=NN(C(=O)CN3CCC[C@@H]3c3cccn3C)[C@@H](c3ccco3)C2)cc1.
What is the InChIKey of 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is DHJUTNOVWOMMNL-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-9-11-19(12-10-18)20-16-23(24-8-5-15-31-24)29(26-20)25(30)17-28-14-4-7-22(28)21-6-3-13-27(21)2/h3,5-6,8-13,15,22-23H,4,7,14,16-17H2,1-2H3/t22-,23-/m1/s1.
What are the key properties of 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone?
1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 416.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 11935359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).