(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol

C19H27N3O — CID 134697462

IUPAC(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(Cc3ccc(C(C)C)cc3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H27N3O/c1-13(2)16-6-4-15(5-7-16)10-22-11-17(19(23)12-22)9-18-8-14(3)20-21-18/h4-8,13,17,19,23H,9-12H2,1-3H3,(H,20,21)/t17-,19-/m1/s1
InChIKeyRPLJQVNZOYETQY-IEBWSBKVSA-N
MW313.45 g/mol
LogP2.88
Rot. Bonds5

About (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 134697462) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
PubChem CID134697462
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(Cc3ccc(C(C)C)cc3)C[C@H]2O)n[nH]1
InChIInChI=1S/C19H27N3O/c1-13(2)16-6-4-15(5-7-16)10-22-11-17(19(23)12-22)9-18-8-14(3)20-21-18/h4-8,13,17,19,23H,9-12H2,1-3H3,(H,20,21)/t17-,19-/m1/s1
InChIKeyRPLJQVNZOYETQY-IEBWSBKVSA-N
XLogP2.88
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{4-benzyl-1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl}methanol
CID 16190266
2-{1-(4-methylbenzyl)-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45209739
{2-benzyl-8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol
CID 91910576
[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 42514246
(3S*,4S*)-4-[4-(3-benzyl-1H-pyrazol-5-yl)-1-piperidinyl]-1-methyl-3-pyrrolidinol
CID 56892538
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[[(3R)-3-phenyloxolan-3-yl]methyl]ethanamine
CID 99929616
2-(2,4-difluorophenyl)-1-[3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
CID 168452603
N-[2-(4-fluorophenyl)ethyl]-2-[3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide
CID 168452723
1-[(3,5-dimethyl-1H-pyrazol-4-yl)-[4-(4-fluorophenyl)phenyl]methyl]pyrrolidin-3-ol
CID 67242739
1-[[4-(4-fluorophenyl)phenyl]-(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 67243415
(2R,3R,4R,5S)-1-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorophenyl]ethyl]-2-methylpiperidine-3,4,5-triol
CID 155302697
1-[2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorophenyl]ethyl]piperidin-4-ol
CID 157039025

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol (CID 134697462) is (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(Cc3ccc(C(C)C)cc3)C[C@H]2O)n[nH]1.
What is the InChIKey of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is RPLJQVNZOYETQY-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H27N3O/c1-13(2)16-6-4-15(5-7-16)10-22-11-17(19(23)12-22)9-18-8-14(3)20-21-18/h4-8,13,17,19,23H,9-12H2,1-3H3,(H,20,21)/t17-,19-/m1/s1.
What are the key properties of (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol?
(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 313.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 134697462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).