methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate

C26H37N5O5 — CID 55429064

IUPACmethyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)CC1
InChIInChI=1S/C26H37N5O5/c1-19-23(10-11-25(33)36-4)20(2)31(28-19)22-8-6-21(7-9-22)26(34)30-15-13-29(14-16-30)18-24(32)27-12-5-17-35-3/h6-9H,5,10-18H2,1-4H3,(H,27,32)
InChIKeyOOQQSABMIYFGFR-UHFFFAOYSA-N
MW499.61 g/mol
LogP1.51
Rot. Bonds11

About methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate

methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate (PubChem CID 55429064) has the molecular formula C26H37N5O5 and a molecular weight of 499.61 g/mol. Its IUPAC name is methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
PubChem CID55429064
Molecular FormulaC26H37N5O5
Molecular Weight499.61 g/mol
Exact Mass499.28
IUPAC Namemethyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)CC1
InChIInChI=1S/C26H37N5O5/c1-19-23(10-11-25(33)36-4)20(2)31(28-19)22-8-6-21(7-9-22)26(34)30-15-13-29(14-16-30)18-24(32)27-12-5-17-35-3/h6-9H,5,10-18H2,1-4H3,(H,27,32)
InChIKeyOOQQSABMIYFGFR-UHFFFAOYSA-N
XLogP1.51
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate 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

methyl 3-[3,5-dimethyl-1-[4-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]pyrazol-4-yl]propanoate
CID 55383418
methyl 3-[3,5-dimethyl-1-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]propanoate
CID 55383468
N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide
CID 55597701
methyl 3-[1-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 44762562
N-(3-methoxypropyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperazin-1-yl]acetamide
CID 55550560
methyl 3-[1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 44762522
methyl 3-[1-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 6734205
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55466264
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
methyl 3-[1-[4-(dimethylaminocarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 9180457
N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide
CID 55429139
methyl 3-[3,5-dimethyl-1-[4-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 9293084

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate?
The IUPAC name of methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate (CID 55429064) is methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate is COCCCNC(=O)CN1CCN(C(=O)c2ccc(-n3nc(C)c(CCC(=O)OC)c3C)cc2)CC1.
What is the InChIKey of methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate?
The InChIKey is OOQQSABMIYFGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O5/c1-19-23(10-11-25(33)36-4)20(2)31(28-19)22-8-6-21(7-9-22)26(34)30-15-13-29(14-16-30)18-24(32)27-12-5-17-35-3/h6-9H,5,10-18H2,1-4H3,(H,27,32).
What are the key properties of methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate?
methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate has a molecular weight of 499.61 g/mol, XLogP of 1.51, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[4-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate is sourced from PubChem (CID 55429064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).