3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide

C15H21N5O — CID 106035548

IUPAC3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCc2cnn(C)c2C)c(N)c1
InChIInChI=1S/C15H21N5O/c1-4-17-15(21)11-5-6-14(13(16)7-11)18-8-12-9-19-20(3)10(12)2/h5-7,9,18H,4,8,16H2,1-3H3,(H,17,21)
InChIKeyZHUSNMHOXSIABE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.67
Rot. Bonds5

About 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide

3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide (PubChem CID 106035548) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
PubChem CID106035548
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCc2cnn(C)c2C)c(N)c1
InChIInChI=1S/C15H21N5O/c1-4-17-15(21)11-5-6-14(13(16)7-11)18-8-12-9-19-20(3)10(12)2/h5-7,9,18H,4,8,16H2,1-3H3,(H,17,21)
InChIKeyZHUSNMHOXSIABE-UHFFFAOYSA-N
XLogP1.67
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
CID 114139144
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 102978759
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106032758
methyl 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-methylbenzoate
CID 79578378
4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 63360539
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide
CID 79569576
3-amino-N-ethyl-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
CID 106007399
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 106035268
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-fluorobenzoic acid
CID 79578895
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 79569429
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
CID 79578897
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide (CID 106035548) is 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(NCc2cnn(C)c2C)c(N)c1.
What is the InChIKey of 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide?
The InChIKey is ZHUSNMHOXSIABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-17-15(21)11-5-6-14(13(16)7-11)18-8-12-9-19-20(3)10(12)2/h5-7,9,18H,4,8,16H2,1-3H3,(H,17,21).
What are the key properties of 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide?
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide has a molecular weight of 287.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide is sourced from PubChem (CID 106035548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).