5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide

C23H29N5O3 — CID 11504199

IUPAC5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C23H29N5O3/c1-30-22-8-3-2-7-20(22)28-14-12-27(13-15-28)11-5-4-10-24-23(29)19-17-18(25-26-19)21-9-6-16-31-21/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,24,29)(H,25,26)
InChIKeyLPYJYJNIIRKQSC-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.01
Rot. Bonds9

About 5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide (PubChem CID 11504199) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide
PubChem CID11504199
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C23H29N5O3/c1-30-22-8-3-2-7-20(22)28-14-12-27(13-15-28)11-5-4-10-24-23(29)19-17-18(25-26-19)21-9-6-16-31-21/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,24,29)(H,25,26)
InChIKeyLPYJYJNIIRKQSC-UHFFFAOYSA-N
XLogP3.01
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide (CID 11504199) is 5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)c2cc(-c3ccco3)[nH]n2)CC1.
What is the InChIKey of 5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide?
The InChIKey is LPYJYJNIIRKQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-30-22-8-3-2-7-20(22)28-14-12-27(13-15-28)11-5-4-10-24-23(29)19-17-18(25-26-19)21-9-6-16-31-21/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H,24,29)(H,25,26).
What are the key properties of 5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 11504199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).