3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole

C22H25N3O2 — CID 47084712

IUPAC3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole
SMILESCOc1ccc(OC)c(C2CCCN2Cc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C22H25N3O2/c1-26-19-10-11-22(27-2)20(15-19)21-9-6-13-24(21)16-17-12-14-25(23-17)18-7-4-3-5-8-18/h3-5,7-8,10-12,14-15,21H,6,9,13,16H2,1-2H3
InChIKeyBNKFIAOIUNFOFH-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.23
Rot. Bonds6

About 3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole

3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole (PubChem CID 47084712) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole.

Molecular Properties

Compound Name3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole
PubChem CID47084712
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole
SMILESCOc1ccc(OC)c(C2CCCN2Cc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C22H25N3O2/c1-26-19-10-11-22(27-2)20(15-19)21-9-6-13-24(21)16-17-12-14-25(23-17)18-7-4-3-5-8-18/h3-5,7-8,10-12,14-15,21H,6,9,13,16H2,1-2H3
InChIKeyBNKFIAOIUNFOFH-UHFFFAOYSA-N
XLogP4.23
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473
1-ethyl-3-[[2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]pyrazole
CID 91838829
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 17427218
(2S)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 26522180
2-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 41187702
4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 40795104
5-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-ethyl-1H-1,2,4-triazole
CID 124617874
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 46615044
2-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione
CID 9285308
(2R)-1-benzylsulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 40820260
2-chloro-3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-7-methoxyquinoline
CID 26201479
N-benzyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831232

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole?
The IUPAC name of 3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole (CID 47084712) is 3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole.
What is the SMILES notation for 3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole?
The canonical SMILES for 3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole is COc1ccc(OC)c(C2CCCN2Cc2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole?
The InChIKey is BNKFIAOIUNFOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-26-19-10-11-22(27-2)20(15-19)21-9-6-13-24(21)16-17-12-14-25(23-17)18-7-4-3-5-8-18/h3-5,7-8,10-12,14-15,21H,6,9,13,16H2,1-2H3.
What are the key properties of 3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole?
3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole has a molecular weight of 363.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenylpyrazole is sourced from PubChem (CID 47084712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).