5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide

C18H31N5O2 — CID 95744328

IUPAC5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide
SMILESCN(C)CCn1cc(NC(=O)CCCC(=O)N2CCCCCC2)cn1
InChIInChI=1S/C18H31N5O2/c1-21(2)12-13-23-15-16(14-19-23)20-17(24)8-7-9-18(25)22-10-5-3-4-6-11-22/h14-15H,3-13H2,1-2H3,(H,20,24)
InChIKeyMMOXBYPADCFENH-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.96
Rot. Bonds8

About 5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide

5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide (PubChem CID 95744328) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide
PubChem CID95744328
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide
SMILESCN(C)CCn1cc(NC(=O)CCCC(=O)N2CCCCCC2)cn1
InChIInChI=1S/C18H31N5O2/c1-21(2)12-13-23-15-16(14-19-23)20-17(24)8-7-9-18(25)22-10-5-3-4-6-11-22/h14-15H,3-13H2,1-2H3,(H,20,24)
InChIKeyMMOXBYPADCFENH-UHFFFAOYSA-N
XLogP1.96
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide?
The IUPAC name of 5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide (CID 95744328) is 5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide?
The canonical SMILES for 5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide is CN(C)CCn1cc(NC(=O)CCCC(=O)N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide?
The InChIKey is MMOXBYPADCFENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-21(2)12-13-23-15-16(14-19-23)20-17(24)8-7-9-18(25)22-10-5-3-4-6-11-22/h14-15H,3-13H2,1-2H3,(H,20,24).
What are the key properties of 5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide?
5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide has a molecular weight of 349.48 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-oxopentanamide is sourced from PubChem (CID 95744328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).