1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone

C13H16ClN5O — CID 121326234

IUPAC1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(Cl)cc3c(N)n[nH]c23)CC1
InChIInChI=1S/C13H16ClN5O/c1-8(20)18-2-4-19(5-3-18)11-7-9(14)6-10-12(11)16-17-13(10)15/h6-7H,2-5H2,1H3,(H3,15,16,17)
InChIKeyRCSFNDCNOBMVMM-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.47
Rot. Bonds1

About 1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone

1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone (PubChem CID 121326234) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone
PubChem CID121326234
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(Cl)cc3c(N)n[nH]c23)CC1
InChIInChI=1S/C13H16ClN5O/c1-8(20)18-2-4-19(5-3-18)11-7-9(14)6-10-12(11)16-17-13(10)15/h6-7H,2-5H2,1H3,(H3,15,16,17)
InChIKeyRCSFNDCNOBMVMM-UHFFFAOYSA-N
XLogP1.47
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
1-[4-(6-chloro-1H-indol-4-yl)-1,4-diazepan-1-yl]ethanone
CID 158915053
1-[4-[5-chloro-2-(hydroxymethyl)phenyl]piperazin-1-yl]ethanone
CID 114845158
1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone
CID 2480749
1-[4-(5-amino-1H-pyrazol-4-yl)-1,4-diazepan-1-yl]ethanone
CID 82234671
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
CID 121326426
S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121326428
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide
CID 57327120
1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 121326388
4-(4-acetylpiperazin-1-yl)-3-aminobenzoic acid
CID 54888081

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone (CID 121326234) is 1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(Cl)cc3c(N)n[nH]c23)CC1.
What is the InChIKey of 1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone?
The InChIKey is RCSFNDCNOBMVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-8(20)18-2-4-19(5-3-18)11-7-9(14)6-10-12(11)16-17-13(10)15/h6-7H,2-5H2,1H3,(H3,15,16,17).
What are the key properties of 1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone?
1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone has a molecular weight of 293.76 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-5-chloro-1H-indazol-7-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 121326234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).