N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide

C16H28N4O — CID 119066815

IUPACN-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)CCCN1CCCCCC1)n1cccn1
InChIInChI=1S/C16H28N4O/c1-15(20-14-7-9-17-20)16(21)18(2)10-8-13-19-11-5-3-4-6-12-19/h7,9,14-15H,3-6,8,10-13H2,1-2H3
InChIKeyRARCWHDYMHRJMI-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.17
Rot. Bonds6

About N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide

N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 119066815) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide
PubChem CID119066815
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)N(C)CCCN1CCCCCC1)n1cccn1
InChIInChI=1S/C16H28N4O/c1-15(20-14-7-9-17-20)16(21)18(2)10-8-13-19-11-5-3-4-6-12-19/h7,9,14-15H,3-6,8,10-13H2,1-2H3
InChIKeyRARCWHDYMHRJMI-UHFFFAOYSA-N
XLogP2.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 119066815) is N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide is CC(C(=O)N(C)CCCN1CCCCCC1)n1cccn1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is RARCWHDYMHRJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-15(20-14-7-9-17-20)16(21)18(2)10-8-13-19-11-5-3-4-6-12-19/h7,9,14-15H,3-6,8,10-13H2,1-2H3.
What are the key properties of N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide?
N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 292.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 119066815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).