[3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

C22H25N3O — CID 97124598

IUPAC[3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESOCc1cccc(C[C@@H]2CCN(Cc3cnn(-c4ccccc4)c3)C2)c1
InChIInChI=1S/C22H25N3O/c26-17-20-6-4-5-18(12-20)11-19-9-10-24(14-19)15-21-13-23-25(16-21)22-7-2-1-3-8-22/h1-8,12-13,16,19,26H,9-11,14-15,17H2/t19-/m0/s1
InChIKeyXHYTXFVACCDALM-IBGZPJMESA-N
MW347.46 g/mol
LogP3.43
Rot. Bonds6

About [3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

[3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (PubChem CID 97124598) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is [3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
PubChem CID97124598
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name[3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESOCc1cccc(C[C@@H]2CCN(Cc3cnn(-c4ccccc4)c3)C2)c1
InChIInChI=1S/C22H25N3O/c26-17-20-6-4-5-18(12-20)11-19-9-10-24(14-19)15-21-13-23-25(16-21)22-7-2-1-3-8-22/h1-8,12-13,16,19,26H,9-11,14-15,17H2/t19-/m0/s1
InChIKeyXHYTXFVACCDALM-IBGZPJMESA-N
XLogP3.43
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648302
4-benzyl-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine;hydrochloride
CID 110170320
3-[(1-phenylpyrazol-4-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927302
(1-benzylpyrazol-4-yl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97126462
3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 81450320
[3-[[(3S)-1-[(2,3,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97147227
3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
CID 111381422
2-[4-[[(3S)-3-(pyrimidin-2-ylmethyl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]benzoic acid
CID 124939761
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
N-(cyclopropylmethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926338
[3-[[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 72843261
N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 70767473

Frequently Asked Questions

What is the IUPAC name of [3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The IUPAC name of [3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (CID 97124598) is [3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is OCc1cccc(C[C@@H]2CCN(Cc3cnn(-c4ccccc4)c3)C2)c1.
What is the InChIKey of [3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The InChIKey is XHYTXFVACCDALM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O/c26-17-20-6-4-5-18(12-20)11-19-9-10-24(14-19)15-21-13-23-25(16-21)22-7-2-1-3-8-22/h1-8,12-13,16,19,26H,9-11,14-15,17H2/t19-/m0/s1.
What are the key properties of [3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
[3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol has a molecular weight of 347.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 97124598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).