N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride

C14H20Cl2N4O — CID 120568841

IUPACN-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCc1cnn(C)c1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-10-3-5-12(15)7-13(10)17-14(19)6-4-11-8-16-18(2)9-11;;/h3,5,7-9H,4,6,15H2,1-2H3,(H,17,19);2*1H
InChIKeySBMVFQKCPNSJEQ-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.73
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride

N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride (PubChem CID 120568841) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
PubChem CID120568841
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC NameN-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCc1cnn(C)c1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-10-3-5-12(15)7-13(10)17-14(19)6-4-11-8-16-18(2)9-11;;/h3,5,7-9H,4,6,15H2,1-2H3,(H,17,19);2*1H
InChIKeySBMVFQKCPNSJEQ-UHFFFAOYSA-N
XLogP2.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride
CID 120568459
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
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N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447503
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(5-amino-2-methylphenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 54909628
N-[2-(4-aminophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119547581
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61225930

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride (CID 120568841) is N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride is Cc1ccc(N)cc1NC(=O)CCc1cnn(C)c1.Cl.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride?
The InChIKey is SBMVFQKCPNSJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c1-10-3-5-12(15)7-13(10)17-14(19)6-4-11-8-16-18(2)9-11;;/h3,5,7-9H,4,6,15H2,1-2H3,(H,17,19);2*1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride?
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 120568841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).