N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride

C14H20Cl2N4O — CID 119547581

IUPACN-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.Cn1cc(CC(=O)NCCc2ccc(N)cc2)cn1
InChIInChI=1S/C14H18N4O.2ClH/c1-18-10-12(9-17-18)8-14(19)16-7-6-11-2-4-13(15)5-3-11;;/h2-5,9-10H,6-8,15H2,1H3,(H,16,19);2*1H
InChIKeyFZDLXWAUIFNZDH-UHFFFAOYSA-N
MW331.25 g/mol
LogP1.75
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride

N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride (PubChem CID 119547581) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
PubChem CID119547581
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.Cn1cc(CC(=O)NCCc2ccc(N)cc2)cn1
InChIInChI=1S/C14H18N4O.2ClH/c1-18-10-12(9-17-18)8-14(19)16-7-6-11-2-4-13(15)5-3-11;;/h2-5,9-10H,6-8,15H2,1H3,(H,16,19);2*1H
InChIKeyFZDLXWAUIFNZDH-UHFFFAOYSA-N
XLogP1.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
2-(2-hydroxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990918
N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119549060
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
2-(1-methylpyrazol-4-yl)-N-nonylacetamide
CID 60616599
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119292835
2-(4-aminophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80680888
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589098

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride (CID 119547581) is N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride is Cl.Cl.Cn1cc(CC(=O)NCCc2ccc(N)cc2)cn1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride?
The InChIKey is FZDLXWAUIFNZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c1-18-10-12(9-17-18)8-14(19)16-7-6-11-2-4-13(15)5-3-11;;/h2-5,9-10H,6-8,15H2,1H3,(H,16,19);2*1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119547581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).