1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone

C10H16N4O — CID 84579292

IUPAC1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
SMILESCN1CCN(C(=O)Cc2ccn[nH]2)CC1
InChIInChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)10(15)8-9-2-3-11-12-9/h2-3H,4-8H2,1H3,(H,11,12)
InChIKeyICGZTMMIWOGDGD-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.27
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone

1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone (PubChem CID 84579292) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
PubChem CID84579292
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
SMILESCN1CCN(C(=O)Cc2ccn[nH]2)CC1
InChIInChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)10(15)8-9-2-3-11-12-9/h2-3H,4-8H2,1H3,(H,11,12)
InChIKeyICGZTMMIWOGDGD-UHFFFAOYSA-N
XLogP-0.27
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 80706631
1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 79139214
1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 112530943
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 154838458
3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 79139700
2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid
CID 102657225
1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 138379141
3-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982759
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769100
1-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 154563682
2-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]piperidine-2-carboxylic acid
CID 104594818

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone (CID 84579292) is 1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone is CN1CCN(C(=O)Cc2ccn[nH]2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The InChIKey is ICGZTMMIWOGDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)10(15)8-9-2-3-11-12-9/h2-3H,4-8H2,1H3,(H,11,12).
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone is sourced from PubChem (CID 84579292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).