(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol

C21H23N3O2 — CID 31106088

IUPAC(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCn1cc(CN2CC[C@@H](O)C2)c(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C21H23N3O2/c1-23-13-17(14-24-12-11-18(25)15-24)21(22-23)16-7-9-20(10-8-16)26-19-5-3-2-4-6-19/h2-10,13,18,25H,11-12,14-15H2,1H3/t18-/m1/s1
InChIKeyJTDOOMIQWXZKPS-GOSISDBHSA-N
MW349.43 g/mol
LogP3.45
Rot. Bonds5

About (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol

(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 31106088) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID31106088
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCn1cc(CN2CC[C@@H](O)C2)c(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C21H23N3O2/c1-23-13-17(14-24-12-11-18(25)15-24)21(22-23)16-7-9-20(10-8-16)26-19-5-3-2-4-6-19/h2-10,13,18,25H,11-12,14-15H2,1H3/t18-/m1/s1
InChIKeyJTDOOMIQWXZKPS-GOSISDBHSA-N
XLogP3.45
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

(1S)-2-methyl-1-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]propan-1-ol
CID 25455232
4-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]thiomorpholine
CID 28957881
[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 42244283
N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 91796696
1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole
CID 74235992
2-[(2S)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 25274849
ethyl 2-[(3S)-4-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]acetate
CID 25367233
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
3-(4-cyclohexylphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 42345611
N-methyl-N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 42453700
ethyl 4-[1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45250547
(3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70742319

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol (CID 31106088) is (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol is Cn1cc(CN2CC[C@@H](O)C2)c(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is JTDOOMIQWXZKPS-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-23-13-17(14-24-12-11-18(25)15-24)21(22-23)16-7-9-20(10-8-16)26-19-5-3-2-4-6-19/h2-10,13,18,25H,11-12,14-15H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 349.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 31106088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).