1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C23H29N5O4 — CID 92548944

IUPAC1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)C4CCN(C(C)=O)CC4)C3)c2N)cc1
InChIInChI=1S/C23H29N5O4/c1-15(29)26-10-7-16(8-11-26)23(31)27-12-9-17(14-27)21(30)20-13-25-28(22(20)24)18-3-5-19(32-2)6-4-18/h3-6,13,16-17H,7-12,14,24H2,1-2H3/t17-/m1/s1
InChIKeyWABQCXAJMBHSTL-QGZVFWFLSA-N
MW439.52 g/mol
LogP1.75
Rot. Bonds5

About 1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 92548944) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID92548944
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)C4CCN(C(C)=O)CC4)C3)c2N)cc1
InChIInChI=1S/C23H29N5O4/c1-15(29)26-10-7-16(8-11-26)23(31)27-12-9-17(14-27)21(30)20-13-25-28(22(20)24)18-3-5-19(32-2)6-4-18/h3-6,13,16-17H,7-12,14,24H2,1-2H3/t17-/m1/s1
InChIKeyWABQCXAJMBHSTL-QGZVFWFLSA-N
XLogP1.75
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone 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

N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 110239763
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone
CID 110239771
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]methanone
CID 110239760
1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 92605607
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 92589335
1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one
CID 92597097
1-[(3S)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-(1,2-oxazol-5-yl)propan-1-one
CID 92597106
(5-amino-1-phenylpyrazol-4-yl)-(1-benzoylpyrrolidin-3-yl)methanone
CID 110239730
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 92610733
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110239741
N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
CID 92558546
1-[(3R)-3-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 92610978

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 92548944) is 1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is COc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)C4CCN(C(C)=O)CC4)C3)c2N)cc1.
What is the InChIKey of 1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is WABQCXAJMBHSTL-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-15(29)26-10-7-16(8-11-26)23(31)27-12-9-17(14-27)21(30)20-13-25-28(22(20)24)18-3-5-19(32-2)6-4-18/h3-6,13,16-17H,7-12,14,24H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 439.52 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92548944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).