1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol

C18H25N3O2 — CID 111565328

IUPAC1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol
SMILESCOc1cccc(C(O)CN2CCC(Cc3cnn(C)c3)C2)c1
InChIInChI=1S/C18H25N3O2/c1-20-11-15(10-19-20)8-14-6-7-21(12-14)13-18(22)16-4-3-5-17(9-16)23-2/h3-5,9-11,14,18,22H,6-8,12-13H2,1-2H3
InChIKeyUXRBOJNGTHFFAE-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.03
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol

1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol (PubChem CID 111565328) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol
PubChem CID111565328
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol
SMILESCOc1cccc(C(O)CN2CCC(Cc3cnn(C)c3)C2)c1
InChIInChI=1S/C18H25N3O2/c1-20-11-15(10-19-20)8-14-6-7-21(12-14)13-18(22)16-4-3-5-17(9-16)23-2/h3-5,9-11,14,18,22H,6-8,12-13H2,1-2H3
InChIKeyUXRBOJNGTHFFAE-UHFFFAOYSA-N
XLogP2.03
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
CID 81134031
1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
CID 111436470
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
N-(3,5-dimethoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]acetamide
CID 136511862
N-[[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 111379146
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol (CID 111565328) is 1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol is COc1cccc(C(O)CN2CCC(Cc3cnn(C)c3)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol?
The InChIKey is UXRBOJNGTHFFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20-11-15(10-19-20)8-14-6-7-21(12-14)13-18(22)16-4-3-5-17(9-16)23-2/h3-5,9-11,14,18,22H,6-8,12-13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol?
1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol has a molecular weight of 315.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 111565328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).