5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride

C15H21ClN4O — CID 120624555

IUPAC5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC(C)c1cn(C)nc1C.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-9-5-6-12(16)7-13(9)15(20)17-10(2)14-8-19(4)18-11(14)3;/h5-8,10H,16H2,1-4H3,(H,17,20);1H
InChIKeyDPSDOZYLILUFNH-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.53
Rot. Bonds3

About 5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride

5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride (PubChem CID 120624555) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride
PubChem CID120624555
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC(C)c1cn(C)nc1C.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-9-5-6-12(16)7-13(9)15(20)17-10(2)14-8-19(4)18-11(14)3;/h5-8,10H,16H2,1-4H3,(H,17,20);1H
InChIKeyDPSDOZYLILUFNH-UHFFFAOYSA-N
XLogP2.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.53
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

2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119944858
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965
2-(4-aminophenyl)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
CID 119741052
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19466797
5-amino-N-[1-(2-bromophenyl)ethyl]-2-methylbenzamide
CID 61291745
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
CID 19466973
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 146122778
5-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylbenzamide;hydrochloride
CID 120638330
4-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 4744970
5-amino-2-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 55122397
5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride
CID 120646852

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride (CID 120624555) is 5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NC(C)c1cn(C)nc1C.Cl.
What is the InChIKey of 5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride?
The InChIKey is DPSDOZYLILUFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-9-5-6-12(16)7-13(9)15(20)17-10(2)14-8-19(4)18-11(14)3;/h5-8,10H,16H2,1-4H3,(H,17,20);1H.
What are the key properties of 5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120624555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).