1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide

C24H25N5O2 — CID 130338801

IUPAC1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(CN3CCNCC3)coc2c1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H25N5O2/c30-24(19-13-26-29(16-19)14-18-4-2-1-3-5-18)27-21-6-7-22-20(17-31-23(22)12-21)15-28-10-8-25-9-11-28/h1-7,12-13,16-17,25H,8-11,14-15H2,(H,27,30)
InChIKeyAMZBUUCEYXTYOI-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.34
Rot. Bonds6

About 1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide

1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide (PubChem CID 130338801) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide
PubChem CID130338801
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(CN3CCNCC3)coc2c1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H25N5O2/c30-24(19-13-26-29(16-19)14-18-4-2-1-3-5-18)27-21-6-7-22-20(17-31-23(22)12-21)15-28-10-8-25-9-11-28/h1-7,12-13,16-17,25H,8-11,14-15H2,(H,27,30)
InChIKeyAMZBUUCEYXTYOI-UHFFFAOYSA-N
XLogP3.34
TPSA75.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide (CID 130338801) is 1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide is O=C(Nc1ccc2c(CN3CCNCC3)coc2c1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide?
The InChIKey is AMZBUUCEYXTYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c30-24(19-13-26-29(16-19)14-18-4-2-1-3-5-18)27-21-6-7-22-20(17-31-23(22)12-21)15-28-10-8-25-9-11-28/h1-7,12-13,16-17,25H,8-11,14-15H2,(H,27,30).
What are the key properties of 1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide?
1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 130338801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).