N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide

C13H23N5O — CID 36800023

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2cc(C)nn2C)CC1
InChIInChI=1S/C13H23N5O/c1-4-17-5-7-18(8-6-17)10-13(19)14-12-9-11(2)15-16(12)3/h9H,4-8,10H2,1-3H3,(H,14,19)
InChIKeyBBYFMEFPINYXHE-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.30
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 36800023) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID36800023
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2cc(C)nn2C)CC1
InChIInChI=1S/C13H23N5O/c1-4-17-5-7-18(8-6-17)10-13(19)14-12-9-11(2)15-16(12)3/h9H,4-8,10H2,1-3H3,(H,14,19)
InChIKeyBBYFMEFPINYXHE-UHFFFAOYSA-N
XLogP0.30
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide (CID 36800023) is N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2cc(C)nn2C)CC1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is BBYFMEFPINYXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-17-5-7-18(8-6-17)10-13(19)14-12-9-11(2)15-16(12)3/h9H,4-8,10H2,1-3H3,(H,14,19).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 36800023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).