7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride

C19H28ClN5O2 — CID 119717826

IUPAC7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
SMILESCC(C(=O)Nc1cccc(NC(=O)CCCCCCN)c1)n1cccn1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-15(24-13-7-12-21-24)19(26)23-17-9-6-8-16(14-17)22-18(25)10-4-2-3-5-11-20;/h6-9,12-15H,2-5,10-11,20H2,1H3,(H,22,25)(H,23,26);1H
InChIKeyRLQDEZUUVZTGIL-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.35
Rot. Bonds10

About 7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride

7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride (PubChem CID 119717826) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
PubChem CID119717826
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC Name7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
SMILESCC(C(=O)Nc1cccc(NC(=O)CCCCCCN)c1)n1cccn1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-15(24-13-7-12-21-24)19(26)23-17-9-6-8-16(14-17)22-18(25)10-4-2-3-5-11-20;/h6-9,12-15H,2-5,10-11,20H2,1H3,(H,22,25)(H,23,26);1H
InChIKeyRLQDEZUUVZTGIL-UHFFFAOYSA-N
XLogP3.35
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 42958667
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46468409
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
CID 119717862
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 61067736
(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 34385299

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride (CID 119717826) is 7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride is CC(C(=O)Nc1cccc(NC(=O)CCCCCCN)c1)n1cccn1.Cl.
What is the InChIKey of 7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride?
The InChIKey is RLQDEZUUVZTGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c1-15(24-13-7-12-21-24)19(26)23-17-9-6-8-16(14-17)22-18(25)10-4-2-3-5-11-20;/h6-9,12-15H,2-5,10-11,20H2,1H3,(H,22,25)(H,23,26);1H.
What are the key properties of 7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride?
7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 3.35, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119717826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).