2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide

C13H23N5O — CID 62113582

IUPAC2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
SMILESCCN1CCC(CNC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C13H23N5O/c1-2-17-6-3-11(4-7-17)9-15-13(19)10-18-8-5-12(14)16-18/h5,8,11H,2-4,6-7,9-10H2,1H3,(H2,14,16)(H,15,19)
InChIKeyXQYPJFRBFOPJOH-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.31
Rot. Bonds5

About 2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide (PubChem CID 62113582) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
PubChem CID62113582
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
SMILESCCN1CCC(CNC(=O)Cn2ccc(N)n2)CC1
InChIInChI=1S/C13H23N5O/c1-2-17-6-3-11(4-7-17)9-15-13(19)10-18-8-5-12(14)16-18/h5,8,11H,2-4,6-7,9-10H2,1H3,(H2,14,16)(H,15,19)
InChIKeyXQYPJFRBFOPJOH-UHFFFAOYSA-N
XLogP0.31
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide (CID 62113582) is 2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide is CCN1CCC(CNC(=O)Cn2ccc(N)n2)CC1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide?
The InChIKey is XQYPJFRBFOPJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-17-6-3-11(4-7-17)9-15-13(19)10-18-8-5-12(14)16-18/h5,8,11H,2-4,6-7,9-10H2,1H3,(H2,14,16)(H,15,19).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 62113582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).