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

C14H17N3O — CID 63365329

IUPAC(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C14H17N3O/c18-14-6-9-16(11-14)10-12-2-4-13(5-3-12)17-8-1-7-15-17/h1-5,7-8,14,18H,6,9-11H2/t14-/m1/s1
InChIKeyOUSNQCMCWSTNRM-CQSZACIVSA-N
MW243.31 g/mol
LogP1.44
Rot. Bonds3

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

(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 63365329) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
PubChem CID63365329
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C14H17N3O/c18-14-6-9-16(11-14)10-12-2-4-13(5-3-12)17-8-1-7-15-17/h1-5,7-8,14,18H,6,9-11H2/t14-/m1/s1
InChIKeyOUSNQCMCWSTNRM-CQSZACIVSA-N
XLogP1.44
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378
3-imidazol-1-yl-4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 75438067
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 51635497
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 92764868
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 133127360
4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2738459
4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 103576557
2-[1-[(4-pyrazol-1-ylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116683944

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol (CID 63365329) is (3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol is O[C@@H]1CCN(Cc2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of (3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is OUSNQCMCWSTNRM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14-6-9-16(11-14)10-12-2-4-13(5-3-12)17-8-1-7-15-17/h1-5,7-8,14,18H,6,9-11H2/t14-/m1/s1.
What are the key properties of (3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 243.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 63365329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).