N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride

C17H27Cl2N5O2 — CID 119890576

IUPACN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C17H25N5O2.2ClH/c1-24-11-10-19-13-17(23)20-9-5-6-14-12-16(18)22(21-14)15-7-3-2-4-8-15;;/h2-4,7-8,12,19H,5-6,9-11,13,18H2,1H3,(H,20,23);2*1H
InChIKeyGUSAOZCQAMGSLQ-UHFFFAOYSA-N
MW404.34 g/mol
LogP1.58
Rot. Bonds10

About N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride

N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride (PubChem CID 119890576) has the molecular formula C17H27Cl2N5O2 and a molecular weight of 404.34 g/mol. Its IUPAC name is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
PubChem CID119890576
Molecular FormulaC17H27Cl2N5O2
Molecular Weight404.34 g/mol
Exact Mass403.15
IUPAC NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C17H25N5O2.2ClH/c1-24-11-10-19-13-17(23)20-9-5-6-14-12-16(18)22(21-14)15-7-3-2-4-8-15;;/h2-4,7-8,12,19H,5-6,9-11,13,18H2,1H3,(H,20,23);2*1H
InChIKeyGUSAOZCQAMGSLQ-UHFFFAOYSA-N
XLogP1.58
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 51.58
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

2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride
CID 119890560
4-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]pentanamide;dihydrochloride
CID 120565710
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methylamino)butanamide
CID 119890521
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide;dihydrochloride
CID 119890552
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120647153
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide
CID 119890553
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-methylpentanamide;dihydrochloride
CID 119890586
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119890557
3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-phenylpropanamide
CID 119890535
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119890522
1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119890537
3-[3-[(4-methoxyphenyl)methylamino]propyl]-1-phenylpyrazol-5-amine;hydrochloride
CID 71933914

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride (CID 119890576) is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride is COCCNCC(=O)NCCCc1cc(N)n(-c2ccccc2)n1.Cl.Cl.
What is the InChIKey of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
The InChIKey is GUSAOZCQAMGSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2.2ClH/c1-24-11-10-19-13-17(23)20-9-5-6-14-12-16(18)22(21-14)15-7-3-2-4-8-15;;/h2-4,7-8,12,19H,5-6,9-11,13,18H2,1H3,(H,20,23);2*1H.
What are the key properties of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride?
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride has a molecular weight of 404.34 g/mol, XLogP of 1.58, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119890576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).