[(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

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

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Related Compounds

2-[4-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-1-(3-methyl-2-buten-1-yl)-2-piperazinyl]ethanol
CID 16192215
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
1-(Propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
CID 15916952
1-(Propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
CID 15917632
2-{1-isopropyl-4-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-2-piperazinyl}ethanol
CID 16191605
2-{1-(4-ethoxybenzyl)-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16192158
1-(Propan-2-ylamino)-3-[4-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
CID 20205281
[1-[1-[1-(2,3-Dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol
CID 130366542
2-[4-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16191721
2-{1-(2-ethoxybenzyl)-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16191743
2-methoxy-N-{3-[(2-methylprop-2-en-1-yl)oxy]benzyl}-1-(1-methyl-1H-pyrazol-5-yl)ethanamine
CID 50954213
2-[5-[1-[2-(3-Methylphenoxy)ethyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104594

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).