2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

C14H25N5O — CID 66915834

IUPAC2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2nc(N)cc2C(C)(C)C)CC1
InChIInChI=1S/C14H25N5O/c1-14(2,3)11-9-12(15)16-19(11)10-13(20)18-7-5-17(4)6-8-18/h9H,5-8,10H2,1-4H3,(H2,15,16)
InChIKeyHTVRZFZBPOLLEH-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.54
Rot. Bonds2

About 2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 66915834) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID66915834
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2nc(N)cc2C(C)(C)C)CC1
InChIInChI=1S/C14H25N5O/c1-14(2,3)11-9-12(15)16-19(11)10-13(20)18-7-5-17(4)6-8-18/h9H,5-8,10H2,1-4H3,(H2,15,16)
InChIKeyHTVRZFZBPOLLEH-UHFFFAOYSA-N
XLogP0.54
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 66915834) is 2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cn2nc(N)cc2C(C)(C)C)CC1.
What is the InChIKey of 2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is HTVRZFZBPOLLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(2,3)11-9-12(15)16-19(11)10-13(20)18-7-5-17(4)6-8-18/h9H,5-8,10H2,1-4H3,(H2,15,16).
What are the key properties of 2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 279.39 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-tert-butylpyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 66915834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).