1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone

C10H16N4O — CID 116559476

IUPAC1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone
SMILESCn1nccc1C(=O)CN1CCNCC1
InChIInChI=1S/C10H16N4O/c1-13-9(2-3-12-13)10(15)8-14-6-4-11-5-7-14/h2-3,11H,4-8H2,1H3
InChIKeyRHDDFXVZTCRTKA-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.49
Rot. Bonds3

About 1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone

1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone (PubChem CID 116559476) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone
PubChem CID116559476
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone
SMILESCn1nccc1C(=O)CN1CCNCC1
InChIInChI=1S/C10H16N4O/c1-13-9(2-3-12-13)10(15)8-14-6-4-11-5-7-14/h2-3,11H,4-8H2,1H3
InChIKeyRHDDFXVZTCRTKA-UHFFFAOYSA-N
XLogP-0.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
2-(1,4-diazepan-1-yl)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331630
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 58394964
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperazin-1-ylethanone
CID 114668690
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
3-(2-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 82417604
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone
CID 116559534
3-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982600
2-(azepan-2-yl)-1-(2-methylpyrazol-3-yl)ethanone
CID 106758315

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone (CID 116559476) is 1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone is Cn1nccc1C(=O)CN1CCNCC1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone?
The InChIKey is RHDDFXVZTCRTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-9(2-3-12-13)10(15)8-14-6-4-11-5-7-14/h2-3,11H,4-8H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone?
1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone has a molecular weight of 208.26 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 116559476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).