5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole

C24H29N3O3 — CID 95831365

IUPAC5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
SMILESCOc1ccc(OCCc2cc([C@@H]3CCN(Cc4cccc(OC)c4)C3)n[nH]2)cc1
InChIInChI=1S/C24H29N3O3/c1-28-21-6-8-22(9-7-21)30-13-11-20-15-24(26-25-20)19-10-12-27(17-19)16-18-4-3-5-23(14-18)29-2/h3-9,14-15,19H,10-13,16-17H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyRKWIUFLVNBDPDD-LJQANCHMSA-N
MW407.51 g/mol
LogP4.04
Rot. Bonds9

About 5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole

5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole (PubChem CID 95831365) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
PubChem CID95831365
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
SMILESCOc1ccc(OCCc2cc([C@@H]3CCN(Cc4cccc(OC)c4)C3)n[nH]2)cc1
InChIInChI=1S/C24H29N3O3/c1-28-21-6-8-22(9-7-21)30-13-11-20-15-24(26-25-20)19-10-12-27(17-19)16-18-4-3-5-23(14-18)29-2/h3-9,14-15,19H,10-13,16-17H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyRKWIUFLVNBDPDD-LJQANCHMSA-N
XLogP4.04
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(7-methoxy-1-benzofuran-2-yl)methyl]pyrrolidin-3-yl]-5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazole
CID 110261534
3-[[(3S)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 95831851
2-[(3R)-3-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]pyrimidine
CID 95831495
5-[2-(3-methoxyphenoxy)ethyl]-3-[(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95831669
1-[(3S)-3-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95831473
4-[[3-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 110268467
5-[2-(3-fluorophenoxy)ethyl]-3-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
CID 110261272
1-[(3S)-3-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95831469
3-[[3-[5-[(4-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 127252203
5-[2-(4-chlorophenoxy)ethyl]-3-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 110261448
3-[(3R)-1-propylpyrrolidin-3-yl]-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 95831308
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole (CID 95831365) is 5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole is COc1ccc(OCCc2cc([C@@H]3CCN(Cc4cccc(OC)c4)C3)n[nH]2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is RKWIUFLVNBDPDD-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-28-21-6-8-22(9-7-21)30-13-11-20-15-24(26-25-20)19-10-12-27(17-19)16-18-4-3-5-23(14-18)29-2/h3-9,14-15,19H,10-13,16-17H2,1-2H3,(H,25,26)/t19-/m1/s1.
What are the key properties of 5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole?
5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 407.51 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 95831365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).