4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide

C15H20N4O — CID 114555070

IUPAC4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
SMILESCCn1nccc1CNc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H20N4O/c1-4-19-14(9-10-17-19)11-16-13-7-5-12(6-8-13)15(20)18(2)3/h5-10,16H,4,11H2,1-3H3
InChIKeyYAXYFUIMGHLACH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.22
Rot. Bonds5

About 4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide

4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 114555070) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID114555070
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
SMILESCCn1nccc1CNc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H20N4O/c1-4-19-14(9-10-17-19)11-16-13-7-5-12(6-8-13)15(20)18(2)3/h5-10,16H,4,11H2,1-3H3
InChIKeyYAXYFUIMGHLACH-UHFFFAOYSA-N
XLogP2.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide (CID 114555070) is 4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide is CCn1nccc1CNc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is YAXYFUIMGHLACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-19-14(9-10-17-19)11-16-13-7-5-12(6-8-13)15(20)18(2)3/h5-10,16H,4,11H2,1-3H3.
What are the key properties of 4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide?
4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 114555070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).