[(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol

C18H25N3O3 — CID 172672247

IUPAC[(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(OCCn2cccn2)cc1CN1CCC[C@H]1CO
InChIInChI=1S/C18H25N3O3/c1-23-18-6-5-17(24-11-10-21-9-3-7-19-21)12-15(18)13-20-8-2-4-16(20)14-22/h3,5-7,9,12,16,22H,2,4,8,10-11,13-14H2,1H3/t16-/m0/s1
InChIKeyFKXNDJNIENPFDG-INIZCTEOSA-N
MW331.42 g/mol
LogP1.93
Rot. Bonds8

About [(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 172672247) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is [(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID172672247
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name[(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(OCCn2cccn2)cc1CN1CCC[C@H]1CO
InChIInChI=1S/C18H25N3O3/c1-23-18-6-5-17(24-11-10-21-9-3-7-19-21)12-15(18)13-20-8-2-4-16(20)14-22/h3,5-7,9,12,16,22H,2,4,8,10-11,13-14H2,1H3/t16-/m0/s1
InChIKeyFKXNDJNIENPFDG-INIZCTEOSA-N
XLogP1.93
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol (CID 172672247) is [(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol is COc1ccc(OCCn2cccn2)cc1CN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is FKXNDJNIENPFDG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-23-18-6-5-17(24-11-10-21-9-3-7-19-21)12-15(18)13-20-8-2-4-16(20)14-22/h3,5-7,9,12,16,22H,2,4,8,10-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 331.42 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[2-methoxy-5-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 172672247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).