3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol

C19H29N3O — CID 141186397

IUPAC3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol
SMILESOc1cccc(CC2CCN([C@@H]3CCCN3C3CCCC3)N2)c1
InChIInChI=1S/C19H29N3O/c23-18-8-3-5-15(14-18)13-16-10-12-22(20-16)19-9-4-11-21(19)17-6-1-2-7-17/h3,5,8,14,16-17,19-20,23H,1-2,4,6-7,9-13H2/t16?,19-/m1/s1
InChIKeyKCIBWIBMGYBJPQ-LRTDYKAYSA-N
MW315.46 g/mol
LogP2.88
Rot. Bonds4

About 3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol

3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol (PubChem CID 141186397) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol
PubChem CID141186397
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol
SMILESOc1cccc(CC2CCN([C@@H]3CCCN3C3CCCC3)N2)c1
InChIInChI=1S/C19H29N3O/c23-18-8-3-5-15(14-18)13-16-10-12-22(20-16)19-9-4-11-21(19)17-6-1-2-7-17/h3,5,8,14,16-17,19-20,23H,1-2,4,6-7,9-13H2/t16?,19-/m1/s1
InChIKeyKCIBWIBMGYBJPQ-LRTDYKAYSA-N
XLogP2.88
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol with MolForge

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Related Compounds

3-[(5-methylpyrrolidin-2-yl)methyl]phenol
CID 142544066
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-(azepan-4-ylmethyl)phenol
CID 83261812
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]phenol
CID 82979279
3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol
CID 75408371
3-[2-(1-methylpyrrolidin-2-yl)ethyl]phenol
CID 84673587
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
3-[1-(4-cyclopentylpiperazin-1-yl)ethyl]phenol
CID 82979909
3-[3-amino-2-(azetidin-1-yl)propyl]phenol
CID 84722321
3-(thian-3-ylmethyl)phenol
CID 105462417
3-(piperidin-1-ium-4-ylmethyl)phenol chloride
CID 11470198
N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 71908762

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol?
The IUPAC name of 3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol (CID 141186397) is 3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol.
What is the SMILES notation for 3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol?
The canonical SMILES for 3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol is Oc1cccc(CC2CCN([C@@H]3CCCN3C3CCCC3)N2)c1.
What is the InChIKey of 3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol?
The InChIKey is KCIBWIBMGYBJPQ-LRTDYKAYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-18-8-3-5-15(14-18)13-16-10-12-22(20-16)19-9-4-11-21(19)17-6-1-2-7-17/h3,5,8,14,16-17,19-20,23H,1-2,4,6-7,9-13H2/t16?,19-/m1/s1.
What are the key properties of 3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol?
3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol has a molecular weight of 315.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2R)-1-cyclopentylpyrrolidin-2-yl]pyrazolidin-3-yl]methyl]phenol is sourced from PubChem (CID 141186397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).