6-amino-N-(1H-pyrazol-4-yl)hexanamide

C9H16N4O — CID 43540262

IUPAC6-amino-N-(1H-pyrazol-4-yl)hexanamide
SMILESNCCCCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H16N4O/c10-5-3-1-2-4-9(14)13-8-6-11-12-7-8/h6-7H,1-5,10H2,(H,11,12)(H,13,14)
InChIKeyTWPRLCRHGMYAQC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.87
Rot. Bonds6

About 6-amino-N-(1H-pyrazol-4-yl)hexanamide

6-amino-N-(1H-pyrazol-4-yl)hexanamide (PubChem CID 43540262) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-amino-N-(1H-pyrazol-4-yl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(1H-pyrazol-4-yl)hexanamide
PubChem CID43540262
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name6-amino-N-(1H-pyrazol-4-yl)hexanamide
SMILESNCCCCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H16N4O/c10-5-3-1-2-4-9(14)13-8-6-11-12-7-8/h6-7H,1-5,10H2,(H,11,12)(H,13,14)
InChIKeyTWPRLCRHGMYAQC-UHFFFAOYSA-N
XLogP0.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.87
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

4-Acetylaminopyrazole
CID 12346894
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide hydrochloride
CID 165469821
N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
CID 43430688
4,4,4-trifluoro-N-(1H-pyrazol-4-yl)butanamide
CID 65711581
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351
N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932742
4,4-difluoro-N-(1H-pyrazol-4-yl)cyclohexane-1-carboxamide
CID 81932743
4,4-difluoro-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120348369

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1H-pyrazol-4-yl)hexanamide?
The IUPAC name of 6-amino-N-(1H-pyrazol-4-yl)hexanamide (CID 43540262) is 6-amino-N-(1H-pyrazol-4-yl)hexanamide.
What is the SMILES notation for 6-amino-N-(1H-pyrazol-4-yl)hexanamide?
The canonical SMILES for 6-amino-N-(1H-pyrazol-4-yl)hexanamide is NCCCCCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 6-amino-N-(1H-pyrazol-4-yl)hexanamide?
The InChIKey is TWPRLCRHGMYAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-5-3-1-2-4-9(14)13-8-6-11-12-7-8/h6-7H,1-5,10H2,(H,11,12)(H,13,14).
What are the key properties of 6-amino-N-(1H-pyrazol-4-yl)hexanamide?
6-amino-N-(1H-pyrazol-4-yl)hexanamide has a molecular weight of 196.25 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1H-pyrazol-4-yl)hexanamide is sourced from PubChem (CID 43540262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).