6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide

C12H22N4O — CID 22754935

IUPAC6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide
SMILESNCCCCCC(=O)NCCCc1cn[nH]c1
InChIInChI=1S/C12H22N4O/c13-7-3-1-2-6-12(17)14-8-4-5-11-9-15-16-10-11/h9-10H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyMAGQQZVBZVYWBZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.98
Rot. Bonds9

About 6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide

6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide (PubChem CID 22754935) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide
PubChem CID22754935
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide
SMILESNCCCCCC(=O)NCCCc1cn[nH]c1
InChIInChI=1S/C12H22N4O/c13-7-3-1-2-6-12(17)14-8-4-5-11-9-15-16-10-11/h9-10H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyMAGQQZVBZVYWBZ-UHFFFAOYSA-N
XLogP0.98
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1H-pyrazol-4-yl)piperidine-2,6-dione
CID 166739211
N-[(1S*,2R*)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56908193
N,N-dimethyl-1-[4-(1H-pyrazol-4-yl)butanoyl]-4-azepanamine
CID 56908749
(3R*,4S*)-4-cyclopropyl-1-[4-(1H-pyrazol-4-yl)butanoyl]pyrrolidin-3-amine
CID 72849771
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72851912
N-[(3R*,4S*)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide
CID 72866841
(1S*,6R*)-9-[4-(1H-pyrazol-4-yl)butanoyl]-3,9-diazabicyclo[4.2.1]nonane
CID 74243011
N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
4-(1H-Pyrazol-4-YL)-N-{2-[(2S)-pyrrolidin-2-YL]ethyl}butanamide
CID 74247815
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
N-[(1-Propylcyclobutyl)methyl]-3-(1H-pyrazol-4-YL)propanamide
CID 122562960
N-[1-(2,2-Dimethylpropyl)cyclopropyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206020

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide?
The IUPAC name of 6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide (CID 22754935) is 6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide.
What is the SMILES notation for 6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide?
The canonical SMILES for 6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide is NCCCCCC(=O)NCCCc1cn[nH]c1.
What is the InChIKey of 6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide?
The InChIKey is MAGQQZVBZVYWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c13-7-3-1-2-6-12(17)14-8-4-5-11-9-15-16-10-11/h9-10H,1-8,13H2,(H,14,17)(H,15,16).
What are the key properties of 6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide?
6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide has a molecular weight of 238.33 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(1H-pyrazol-4-yl)propyl]hexanamide is sourced from PubChem (CID 22754935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).