N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide

C21H27N5O — CID 59173884

IUPACN-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1cc(-c2ccc3cc[nH]c3c2)[nH]n1
InChIInChI=1S/C21H27N5O/c27-21(6-2-5-13-26-11-3-1-4-12-26)23-20-15-19(24-25-20)17-8-7-16-9-10-22-18(16)14-17/h7-10,14-15,22H,1-6,11-13H2,(H2,23,24,25,27)
InChIKeySPIHDGMINQVHPC-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.15
Rot. Bonds7

About N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide

N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide (PubChem CID 59173884) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
PubChem CID59173884
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1cc(-c2ccc3cc[nH]c3c2)[nH]n1
InChIInChI=1S/C21H27N5O/c27-21(6-2-5-13-26-11-3-1-4-12-26)23-20-15-19(24-25-20)17-8-7-16-9-10-22-18(16)14-17/h7-10,14-15,22H,1-6,11-13H2,(H2,23,24,25,27)
InChIKeySPIHDGMINQVHPC-UHFFFAOYSA-N
XLogP4.15
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide?
The IUPAC name of N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide (CID 59173884) is N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide is O=C(CCCCN1CCCCC1)Nc1cc(-c2ccc3cc[nH]c3c2)[nH]n1.
What is the InChIKey of N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide?
The InChIKey is SPIHDGMINQVHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c27-21(6-2-5-13-26-11-3-1-4-12-26)23-20-15-19(24-25-20)17-8-7-16-9-10-22-18(16)14-17/h7-10,14-15,22H,1-6,11-13H2,(H2,23,24,25,27).
What are the key properties of N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide?
N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide has a molecular weight of 365.48 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indol-6-yl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 59173884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).