N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H26N6O — CID 42954786

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)C2CCCN(c3cnccn3)C2)n1
InChIInChI=1S/C18H26N6O/c1-14-11-15(2)24(22-14)10-4-6-21-18(25)16-5-3-9-23(13-16)17-12-19-7-8-20-17/h7-8,11-12,16H,3-6,9-10,13H2,1-2H3,(H,21,25)
InChIKeyLJINXJOHXZDPLA-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.71
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 42954786) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID42954786
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)C2CCCN(c3cnccn3)C2)n1
InChIInChI=1S/C18H26N6O/c1-14-11-15(2)24(22-14)10-4-6-21-18(25)16-5-3-9-23(13-16)17-12-19-7-8-20-17/h7-8,11-12,16H,3-6,9-10,13H2,1-2H3,(H,21,25)
InChIKeyLJINXJOHXZDPLA-UHFFFAOYSA-N
XLogP1.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
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 N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 42954786) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is Cc1cc(C)n(CCCNC(=O)C2CCCN(c3cnccn3)C2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is LJINXJOHXZDPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-11-15(2)24(22-14)10-4-6-21-18(25)16-5-3-9-23(13-16)17-12-19-7-8-20-17/h7-8,11-12,16H,3-6,9-10,13H2,1-2H3,(H,21,25).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 42954786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).