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

C15H20N4O — CID 78985186

IUPAC3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC(C)c1cnn(C)c1C
InChIInChI=1S/C15H20N4O/c1-9-12(6-5-7-14(9)16)15(20)18-10(2)13-8-17-19(4)11(13)3/h5-8,10H,16H2,1-4H3,(H,18,20)
InChIKeyMOAIZBCVIYUGKC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.11
Rot. Bonds3

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

3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide (PubChem CID 78985186) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
PubChem CID78985186
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC(C)c1cnn(C)c1C
InChIInChI=1S/C15H20N4O/c1-9-12(6-5-7-14(9)16)15(20)18-10(2)13-8-17-19(4)11(13)3/h5-8,10H,16H2,1-4H3,(H,18,20)
InChIKeyMOAIZBCVIYUGKC-UHFFFAOYSA-N
XLogP2.11
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.11
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-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119730438
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide
CID 61118167
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 135104084
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide
CID 78984250
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-difluorobenzamide
CID 94802139
methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 47027987
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 94805812
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 47027951
2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide
CID 48529543

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide (CID 78985186) is 3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide is Cc1c(N)cccc1C(=O)NC(C)c1cnn(C)c1C.
What is the InChIKey of 3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide?
The InChIKey is MOAIZBCVIYUGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-12(6-5-7-14(9)16)15(20)18-10(2)13-8-17-19(4)11(13)3/h5-8,10H,16H2,1-4H3,(H,18,20).
What are the key properties of 3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide?
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 78985186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).