3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide

C12H17N5O — CID 61393971

IUPAC3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide
SMILESCCCC(CC(=O)Nc1ccn[nH]1)n1ccnc1
InChIInChI=1S/C12H17N5O/c1-2-3-10(17-7-6-13-9-17)8-12(18)15-11-4-5-14-16-11/h4-7,9-10H,2-3,8H2,1H3,(H2,14,15,16,18)
InChIKeyZIANQPDXACJBMJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.98
Rot. Bonds6

About 3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide

3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide (PubChem CID 61393971) 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-5-yl)hexanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide
PubChem CID61393971
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide
SMILESCCCC(CC(=O)Nc1ccn[nH]1)n1ccnc1
InChIInChI=1S/C12H17N5O/c1-2-3-10(17-7-6-13-9-17)8-12(18)15-11-4-5-14-16-11/h4-7,9-10H,2-3,8H2,1H3,(H2,14,15,16,18)
InChIKeyZIANQPDXACJBMJ-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

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Related Compounds

3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide
CID 43430739
3-imidazol-1-yl-N-(1H-imidazol-2-yl)hexanamide
CID 63563692
2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid
CID 43357509
2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
CID 106179981
3-imidazol-1-yl-1-phenylhexan-1-one
CID 19825175
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
CID 106251098
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108
(3S)-N-[3-(dimethylsulfamoyl)phenyl]-3-imidazol-1-ylhexanamide
CID 41015258
(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-5-yl)hexanamide?
The IUPAC name of 3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide (CID 61393971) is 3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide?
The canonical SMILES for 3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide is CCCC(CC(=O)Nc1ccn[nH]1)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide?
The InChIKey is ZIANQPDXACJBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-3-10(17-7-6-13-9-17)8-12(18)15-11-4-5-14-16-11/h4-7,9-10H,2-3,8H2,1H3,(H2,14,15,16,18).
What are the key properties of 3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide?
3-imidazol-1-yl-N-(1H-pyrazol-5-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-5-yl)hexanamide is sourced from PubChem (CID 61393971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).