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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(S)-(4-bromophenyl)sulfinyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]butanamide
CID 96516886
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-indazol-1-ylpropanamide
CID 95744349
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10850910
4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 49088558
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(3-methylindazol-1-yl)propanamide
CID 95744353
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-methylindazol-1-yl)propanamide
CID 95744356
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]butanediamide
CID 95744217
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 49088156
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977

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).