[4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

C18H24N4O2 — CID 135112421

IUPAC[4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C[C@@H]2CN(C(=O)c3ccc(CCN)cc3)C[C@H]2O)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-12-8-16(21-20-12)9-15-10-22(11-17(15)23)18(24)14-4-2-13(3-5-14)6-7-19/h2-5,8,15,17,23H,6-7,9-11,19H2,1H3,(H,20,21)/t15-,17-/m1/s1
InChIKeyDJUCSWXBUCYHQU-NVXWUHKLSA-N
MW328.42 g/mol
LogP0.89
Rot. Bonds5

About [4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

[4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 135112421) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID135112421
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C[C@@H]2CN(C(=O)c3ccc(CCN)cc3)C[C@H]2O)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-12-8-16(21-20-12)9-15-10-22(11-17(15)23)18(24)14-4-2-13(3-5-14)6-7-19/h2-5,8,15,17,23H,6-7,9-11,19H2,1H3,(H,20,21)/t15-,17-/m1/s1
InChIKeyDJUCSWXBUCYHQU-NVXWUHKLSA-N
XLogP0.89
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone 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

(3S,4R)-1-[[4-(2-aminoethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 134699837
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(4-propoxyphenyl)methanone
CID 135103871
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 135108218
3-(4-chlorophenyl)-1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 134703886
1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 134710379
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 155503480
(5,6-dimethyl-3-pyridinyl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 135096835
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 135113014
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 135120841
[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(5-hydroxy-2-pyridinyl)methanone
CID 135103031
2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]-6-methylpyran-4-one
CID 135101999
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 135101939

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone (CID 135112421) is [4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C[C@@H]2CN(C(=O)c3ccc(CCN)cc3)C[C@H]2O)n[nH]1.
What is the InChIKey of [4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is DJUCSWXBUCYHQU-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-8-16(21-20-12)9-15-10-22(11-17(15)23)18(24)14-4-2-13(3-5-14)6-7-19/h2-5,8,15,17,23H,6-7,9-11,19H2,1H3,(H,20,21)/t15-,17-/m1/s1.
What are the key properties of [4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
[4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl]-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 135112421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).