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

C25H28N4O3 — CID 25485061

IUPAC1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C2=NN(C(=O)CN3CCC[C@@H]3c3cccn3C)[C@@H](c3ccco3)C2)cc1
InChIInChI=1S/C25H28N4O3/c1-27-13-3-6-21(27)22-7-4-14-28(22)17-25(30)29-23(24-8-5-15-32-24)16-20(26-29)18-9-11-19(31-2)12-10-18/h3,5-6,8-13,15,22-23H,4,7,14,16-17H2,1-2H3/t22-,23-/m1/s1
InChIKeySJAHRBUXNUSHEQ-DHIUTWEWSA-N
MW432.52 g/mol
LogP4.14
Rot. Bonds6

About 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

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 (PubChem CID 25485061) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID25485061
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C2=NN(C(=O)CN3CCC[C@@H]3c3cccn3C)[C@@H](c3ccco3)C2)cc1
InChIInChI=1S/C25H28N4O3/c1-27-13-3-6-21(27)22-7-4-14-28(22)17-25(30)29-23(24-8-5-15-32-24)16-20(26-29)18-9-11-19(31-2)12-10-18/h3,5-6,8-13,15,22-23H,4,7,14,16-17H2,1-2H3/t22-,23-/m1/s1
InChIKeySJAHRBUXNUSHEQ-DHIUTWEWSA-N
XLogP4.14
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 8896354
4-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 6949623
[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] cyclopentanecarboxylate
CID 8020191
1-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methoxyphenoxy)ethanone
CID 7865713
1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 31479338
1-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-ylethanone
CID 8894481
1-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 46801123
2-(tert-butylamino)-1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 39894420
N-tert-butyl-2-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 30728863
N-tert-butyl-2-[4-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 51619697
3-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266380

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(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-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is SJAHRBUXNUSHEQ-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-27-13-3-6-21(27)22-7-4-14-28(22)17-25(30)29-23(24-8-5-15-32-24)16-20(26-29)18-9-11-19(31-2)12-10-18/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-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone?
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 has a molecular weight of 432.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25485061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).