7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide

C16H22N4O — CID 43713256

IUPAC7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H22N4O/c17-11-4-2-1-3-5-16(21)19-14-8-6-13(7-9-14)15-10-12-18-20-15/h6-10,12H,1-5,11,17H2,(H,18,20)(H,19,21)
InChIKeyHXYRWMHEMKRVHN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.92
Rot. Bonds8

About 7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide

7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide (PubChem CID 43713256) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
PubChem CID43713256
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H22N4O/c17-11-4-2-1-3-5-16(21)19-14-8-6-13(7-9-14)15-10-12-18-20-15/h6-10,12H,1-5,11,17H2,(H,18,20)(H,19,21)
InChIKeyHXYRWMHEMKRVHN-UHFFFAOYSA-N
XLogP2.92
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.92
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

5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 47282826
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
CID 60850157
methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
CID 47174001
7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide
CID 119871823
3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 38779444
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
CID 43704126
7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
CID 119686436
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-(6-aminohexanoylamino)benzamide
CID 24702559

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide (CID 43713256) is 7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide is NCCCCCCC(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide?
The InChIKey is HXYRWMHEMKRVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-11-4-2-1-3-5-16(21)19-14-8-6-13(7-9-14)15-10-12-18-20-15/h6-10,12H,1-5,11,17H2,(H,18,20)(H,19,21).
What are the key properties of 7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide?
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide has a molecular weight of 286.38 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide is sourced from PubChem (CID 43713256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).