7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride

C17H25ClN4O — CID 119725260

IUPAC7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H24N4O.ClH/c18-11-4-2-1-3-6-17(22)19-14-15-7-9-16(10-8-15)21-13-5-12-20-21;/h5,7-10,12-13H,1-4,6,11,14,18H2,(H,19,22);1H
InChIKeyKDEQHAIZLDREJR-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.82
Rot. Bonds9

About 7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride

7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride (PubChem CID 119725260) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride
PubChem CID119725260
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H24N4O.ClH/c18-11-4-2-1-3-6-17(22)19-14-15-7-9-16(10-8-15)21-13-5-12-20-21;/h5,7-10,12-13H,1-4,6,11,14,18H2,(H,19,22);1H
InChIKeyKDEQHAIZLDREJR-UHFFFAOYSA-N
XLogP2.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.82
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

7-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]heptanamide
CID 119866354
7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
CID 43704126
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
3-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295872
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119290430
7-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]heptanamide
CID 119760545
7-amino-N-[(4-phenoxyphenyl)methyl]heptanamide;hydrochloride
CID 119725132
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
6-amino-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 24689884

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride (CID 119725260) is 7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride?
The InChIKey is KDEQHAIZLDREJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c18-11-4-2-1-3-6-17(22)19-14-15-7-9-16(10-8-15)21-13-5-12-20-21;/h5,7-10,12-13H,1-4,6,11,14,18H2,(H,19,22);1H.
What are the key properties of 7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride?
7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 2.82, 9 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)methyl]heptanamide;hydrochloride is sourced from PubChem (CID 119725260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).