3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide

C24H27N5O3 — CID 29214560

IUPAC3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H27N5O3/c25-23(30)8-9-27-10-12-28(13-11-27)15-19-16-29(20-4-2-1-3-5-20)26-24(19)18-6-7-21-22(14-18)32-17-31-21/h1-7,14,16H,8-13,15,17H2,(H2,25,30)
InChIKeyFXKSQONTLLXDQV-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.26
Rot. Bonds7

About 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide

3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 29214560) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide
PubChem CID29214560
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H27N5O3/c25-23(30)8-9-27-10-12-28(13-11-27)15-19-16-29(20-4-2-1-3-5-20)26-24(19)18-6-7-21-22(14-18)32-17-31-21/h1-7,14,16H,8-13,15,17H2,(H2,25,30)
InChIKeyFXKSQONTLLXDQV-UHFFFAOYSA-N
XLogP2.26
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

1-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-4-pyridin-4-ylpiperazine
CID 56713644
N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]ethanamine
CID 26331039
N-[[(3S)-1-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 25281255
3-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]-N-butan-2-ylpropanamide
CID 50768344
3-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]-N-(1-phenylethyl)propanamide
CID 50768256
3-(1,3-benzodioxol-5-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19513258
N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-2-methylsulfanylethanamine
CID 42214502
3-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 50768301
3-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 50768331
1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 46809748
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9140790

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide (CID 29214560) is 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide is NC(=O)CCN1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is FXKSQONTLLXDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c25-23(30)8-9-27-10-12-28(13-11-27)15-19-16-29(20-4-2-1-3-5-20)26-24(19)18-6-7-21-22(14-18)32-17-31-21/h1-7,14,16H,8-13,15,17H2,(H2,25,30).
What are the key properties of 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide?
3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 433.51 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 29214560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).