3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide

C12H17N5O — CID 43430739

IUPAC3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide
SMILESCCCC(CC(=O)Nc1cn[nH]c1)n1ccnc1
InChIInChI=1S/C12H17N5O/c1-2-3-11(17-5-4-13-9-17)6-12(18)16-10-7-14-15-8-10/h4-5,7-9,11H,2-3,6H2,1H3,(H,14,15)(H,16,18)
InChIKeyVAGOYALTSIICCP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.98
Rot. Bonds6

About 3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide

3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide (PubChem CID 43430739) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide
PubChem CID43430739
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide
SMILESCCCC(CC(=O)Nc1cn[nH]c1)n1ccnc1
InChIInChI=1S/C12H17N5O/c1-2-3-11(17-5-4-13-9-17)6-12(18)16-10-7-14-15-8-10/h4-5,7-9,11H,2-3,6H2,1H3,(H,14,15)(H,16,18)
InChIKeyVAGOYALTSIICCP-UHFFFAOYSA-N
XLogP1.98
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide 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

3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide
CID 61393971
3-imidazol-1-yl-N-(1H-imidazol-2-yl)hexanamide
CID 63563692
2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558
2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid
CID 43357509
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108
(3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide
CID 41015258
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
4-imidazol-1-yl-N-(1H-pyrazol-4-yl)butanamide
CID 166195192
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
CID 106179981
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
CID 106251098
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
(2S)-4-hydroxy-2-(3-imidazol-1-ylhexanoylamino)butanoic acid
CID 107821784

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide?
The IUPAC name of 3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide (CID 43430739) is 3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide?
The canonical SMILES for 3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide is CCCC(CC(=O)Nc1cn[nH]c1)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide?
The InChIKey is VAGOYALTSIICCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-3-11(17-5-4-13-9-17)6-12(18)16-10-7-14-15-8-10/h4-5,7-9,11H,2-3,6H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide?
3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide has a molecular weight of 247.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide is sourced from PubChem (CID 43430739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).