[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol

C22H25N3O2 — CID 42244283

IUPAC[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCn1cc(CN2CCC[C@H]2CO)c(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C22H25N3O2/c1-24-14-18(15-25-13-5-6-19(25)16-26)22(23-24)17-9-11-21(12-10-17)27-20-7-3-2-4-8-20/h2-4,7-12,14,19,26H,5-6,13,15-16H2,1H3/t19-/m0/s1
InChIKeyJOAKKXROYFLZIX-IBGZPJMESA-N
MW363.46 g/mol
LogP3.84
Rot. Bonds6

About [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 42244283) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID42244283
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCn1cc(CN2CCC[C@H]2CO)c(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C22H25N3O2/c1-24-14-18(15-25-13-5-6-19(25)16-26)22(23-24)17-9-11-21(12-10-17)27-20-7-3-2-4-8-20/h2-4,7-12,14,19,26H,5-6,13,15-16H2,1H3/t19-/m0/s1
InChIKeyJOAKKXROYFLZIX-IBGZPJMESA-N
XLogP3.84
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

2-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 25274849
(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 31106088
(1S)-2-methyl-1-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]propan-1-ol
CID 25455232
ethyl 2-[(3S)-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]acetate
CID 25367233
4-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]thiomorpholine
CID 28957881
[(2S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 70732351
2-[(2R)-1-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]acetamide
CID 95868809
[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 155911732
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 42453700
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 110909353

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol (CID 42244283) is [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol is Cn1cc(CN2CCC[C@H]2CO)c(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is JOAKKXROYFLZIX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24-14-18(15-25-13-5-6-19(25)16-26)22(23-24)17-9-11-21(12-10-17)27-20-7-3-2-4-8-20/h2-4,7-12,14,19,26H,5-6,13,15-16H2,1H3/t19-/m0/s1.
What are the key properties of [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 363.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 42244283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).