N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride

C17H24ClN5O3 — CID 119717862

IUPACN-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1.Cl
InChIInChI=1S/C17H23N5O3.ClH/c1-13(22-9-4-7-19-22)17(24)21-15-6-3-5-14(11-15)20-16(23)12-18-8-10-25-2;/h3-7,9,11,13,18H,8,10,12H2,1-2H3,(H,20,23)(H,21,24);1H
InChIKeyHIMSAIBCLWCFEV-UHFFFAOYSA-N
MW381.86 g/mol
LogP1.68
Rot. Bonds9

About N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride

N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride (PubChem CID 119717862) has the molecular formula C17H24ClN5O3 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
PubChem CID119717862
Molecular FormulaC17H24ClN5O3
Molecular Weight381.86 g/mol
Exact Mass381.16
IUPAC NameN-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1.Cl
InChIInChI=1S/C17H23N5O3.ClH/c1-13(22-9-4-7-19-22)17(24)21-15-6-3-5-14(11-15)20-16(23)12-18-8-10-25-2;/h3-7,9,11,13,18H,8,10,12H2,1-2H3,(H,20,23)(H,21,24);1H
InChIKeyHIMSAIBCLWCFEV-UHFFFAOYSA-N
XLogP1.68
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845
(2R)-N-[3-[3-methoxypropyl-[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 96535980
N-[3-[3-methoxypropyl(2-pyrazol-1-ylpropanoyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 71858221
7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
CID 119717826
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride?
The IUPAC name of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride (CID 119717862) is N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride.
What is the SMILES notation for N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride?
The canonical SMILES for N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride is COCCNCC(=O)Nc1cccc(NC(=O)C(C)n2cccn2)c1.Cl.
What is the InChIKey of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride?
The InChIKey is HIMSAIBCLWCFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3.ClH/c1-13(22-9-4-7-19-22)17(24)21-15-6-3-5-14(11-15)20-16(23)12-18-8-10-25-2;/h3-7,9,11,13,18H,8,10,12H2,1-2H3,(H,20,23)(H,21,24);1H.
What are the key properties of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride?
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride has a molecular weight of 381.86 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride is sourced from PubChem (CID 119717862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).