2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride

C13H17ClN4O — CID 119402326

IUPAC2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(Cc1[nH]nc2ccccc12)N1CCNCC1
InChIInChI=1S/C13H16N4O.ClH/c18-13(17-7-5-14-6-8-17)9-12-10-3-1-2-4-11(10)15-16-12;/h1-4,14H,5-9H2,(H,15,16);1H
InChIKeyNTEHHAAVRXGYII-UHFFFAOYSA-N
MW280.76 g/mol
LogP0.96
Rot. Bonds2

About 2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride

2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119402326) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119402326
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
SMILESCl.O=C(Cc1[nH]nc2ccccc12)N1CCNCC1
InChIInChI=1S/C13H16N4O.ClH/c18-13(17-7-5-14-6-8-17)9-12-10-3-1-2-4-11(10)15-16-12;/h1-4,14H,5-9H2,(H,15,16);1H
InChIKeyNTEHHAAVRXGYII-UHFFFAOYSA-N
XLogP0.96
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
CID 119375250
3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166259361
1-[2-(2H-indazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166712
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
CID 119623896
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 119646692
8-[2-(2H-indazol-3-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 127419534
2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50979999
1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2H-indazol-3-yl)ethanone
CID 135102219
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
CID 120803044
1-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 118790910
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 133265851
2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 50980598

Frequently Asked Questions

What is the IUPAC name of 2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride (CID 119402326) is 2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride is Cl.O=C(Cc1[nH]nc2ccccc12)N1CCNCC1.
What is the InChIKey of 2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is NTEHHAAVRXGYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c18-13(17-7-5-14-6-8-17)9-12-10-3-1-2-4-11(10)15-16-12;/h1-4,14H,5-9H2,(H,15,16);1H.
What are the key properties of 2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride?
2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119402326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).