4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide

C21H31N5O2 — CID 72933566

IUPAC4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide
SMILESCOCCCCN1CCN(C(=O)Nc2ccnn2C(C)c2ccccc2)CC1
InChIInChI=1S/C21H31N5O2/c1-18(19-8-4-3-5-9-19)26-20(10-11-22-26)23-21(27)25-15-13-24(14-16-25)12-6-7-17-28-2/h3-5,8-11,18H,6-7,12-17H2,1-2H3,(H,23,27)
InChIKeyAYZQCNOGBURQNW-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.07
Rot. Bonds8

About 4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide

4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide (PubChem CID 72933566) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide
PubChem CID72933566
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide
SMILESCOCCCCN1CCN(C(=O)Nc2ccnn2C(C)c2ccccc2)CC1
InChIInChI=1S/C21H31N5O2/c1-18(19-8-4-3-5-9-19)26-20(10-11-22-26)23-21(27)25-15-13-24(14-16-25)12-6-7-17-28-2/h3-5,8-11,18H,6-7,12-17H2,1-2H3,(H,23,27)
InChIKeyAYZQCNOGBURQNW-UHFFFAOYSA-N
XLogP3.07
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]piperazine-1-carboxamide
CID 118761775
1-(2-morpholin-4-ylethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 97283704
1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea
CID 72924199
N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105247
3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91950234
4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide
CID 72885784
N-[2,6-di(propan-2-yl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105012
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105204
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 60592622
1-[4-(6-methoxyhexyl)piperazin-1-yl]-2-methylpropan-1-one
CID 165146296
1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 97275907

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide (CID 72933566) is 4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide is COCCCCN1CCN(C(=O)Nc2ccnn2C(C)c2ccccc2)CC1.
What is the InChIKey of 4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide?
The InChIKey is AYZQCNOGBURQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-18(19-8-4-3-5-9-19)26-20(10-11-22-26)23-21(27)25-15-13-24(14-16-25)12-6-7-17-28-2/h3-5,8-11,18H,6-7,12-17H2,1-2H3,(H,23,27).
What are the key properties of 4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide?
4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybutyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 72933566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).