[2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone

C25H23N3O3 — CID 118878965

IUPAC[2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCCC2c2cccc(-c3ccoc3)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C25H23N3O3/c1-30-24-13-19(7-8-22(24)21-14-26-27-15-21)25(29)28-10-3-6-23(28)18-5-2-4-17(12-18)20-9-11-31-16-20/h2,4-5,7-9,11-16,23H,3,6,10H2,1H3,(H,26,27)
InChIKeyBLSAWZRSDWTNCO-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.32
Rot. Bonds5

About [2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone

[2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone (PubChem CID 118878965) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is [2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
PubChem CID118878965
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name[2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCCC2c2cccc(-c3ccoc3)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C25H23N3O3/c1-30-24-13-19(7-8-22(24)21-14-26-27-15-21)25(29)28-10-3-6-23(28)18-5-2-4-17(12-18)20-9-11-31-16-20/h2,4-5,7-9,11-16,23H,3,6,10H2,1H3,(H,26,27)
InChIKeyBLSAWZRSDWTNCO-UHFFFAOYSA-N
XLogP5.32
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]benzoic acid
CID 118879009
[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[2-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-1-yl]methanone
CID 118878845
[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone
CID 118878837
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
CID 130304794
[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[2-[3-[(1-methylpiperidin-4-yl)amino]phenyl]pyrrolidin-1-yl]methanone
CID 118878838
[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 145021807
tert-butyl 4-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-3-phenylpiperazine-1-carboxylate
CID 118900489
2,3-dihydroindol-1-yl-[(2R)-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]methanone
CID 118879005
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(2R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
CID 118878972
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
N-(cyclopropylmethyl)-3-[(2R,4R)-4-hydroxy-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-4-methylpyrrolidin-2-yl]benzamide
CID 118878915
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033

Frequently Asked Questions

What is the IUPAC name of [2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone?
The IUPAC name of [2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone (CID 118878965) is [2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for [2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone?
The canonical SMILES for [2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone is COc1cc(C(=O)N2CCCC2c2cccc(-c3ccoc3)c2)ccc1-c1cn[nH]c1.
What is the InChIKey of [2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone?
The InChIKey is BLSAWZRSDWTNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-30-24-13-19(7-8-22(24)21-14-26-27-15-21)25(29)28-10-3-6-23(28)18-5-2-4-17(12-18)20-9-11-31-16-20/h2,4-5,7-9,11-16,23H,3,6,10H2,1H3,(H,26,27).
What are the key properties of [2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone?
[2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone has a molecular weight of 413.48 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 118878965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).