7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide

C16H22N4O — CID 43704126

IUPAC7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H22N4O/c17-11-4-2-1-3-6-16(21)19-14-7-9-15(10-8-14)20-13-5-12-18-20/h5,7-10,12-13H,1-4,6,11,17H2,(H,19,21)
InChIKeyHWGFDCLDSOFZPW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.72
Rot. Bonds8

About 7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide

7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide (PubChem CID 43704126) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
PubChem CID43704126
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H22N4O/c17-11-4-2-1-3-6-16(21)19-14-7-9-15(10-8-14)20-13-5-12-18-20/h5,7-10,12-13H,1-4,6,11,17H2,(H,19,21)
InChIKeyHWGFDCLDSOFZPW-UHFFFAOYSA-N
XLogP2.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976
7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride
CID 119725260
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
7-amino-N-(2-pyrazol-1-yl-3-pyridinyl)heptanamide
CID 43714218
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
4-amino-3-methoxy-N-(4-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120587813
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-pyrazol-1-ylphenyl)butanamide
CID 78864304
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
3-(2-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78866618
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide?
The IUPAC name of 7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide (CID 43704126) is 7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide?
The canonical SMILES for 7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide is NCCCCCCC(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide?
The InChIKey is HWGFDCLDSOFZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-11-4-2-1-3-6-16(21)19-14-7-9-15(10-8-14)20-13-5-12-18-20/h5,7-10,12-13H,1-4,6,11,17H2,(H,19,21).
What are the key properties of 7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide?
7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide has a molecular weight of 286.38 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide is sourced from PubChem (CID 43704126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).