piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride

C12H19ClN4O — CID 119402457

IUPACpiperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCc2[nH]ncc21)N1CCNCC1
InChIInChI=1S/C12H18N4O.ClH/c17-12(16-6-4-13-5-7-16)9-2-1-3-11-10(9)8-14-15-11;/h8-9,13H,1-7H2,(H,14,15);1H
InChIKeySTCDHVOQXKFZMO-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.68
Rot. Bonds1

About piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride

piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride (PubChem CID 119402457) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride
PubChem CID119402457
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Namepiperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCc2[nH]ncc21)N1CCNCC1
InChIInChI=1S/C12H18N4O.ClH/c17-12(16-6-4-13-5-7-16)9-2-1-3-11-10(9)8-14-15-11;/h8-9,13H,1-7H2,(H,14,15);1H
InChIKeySTCDHVOQXKFZMO-UHFFFAOYSA-N
XLogP0.68
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[d]azepin-3-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 155961845
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 136514406
azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166254151
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 131963475
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-4-carboxylic acid
CID 82413909
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126766189
(4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 96997674
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-4-yl)acetic acid
CID 82414343
4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-2-one
CID 60728850

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride?
The IUPAC name of piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride (CID 119402457) is piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride?
The canonical SMILES for piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride is Cl.O=C(C1CCCc2[nH]ncc21)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride?
The InChIKey is STCDHVOQXKFZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.ClH/c17-12(16-6-4-13-5-7-16)9-2-1-3-11-10(9)8-14-15-11;/h8-9,13H,1-7H2,(H,14,15);1H.
What are the key properties of piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride?
piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119402457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).