1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one

C14H17ClN4O — CID 121326426

IUPAC1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C14H17ClN4O/c1-2-14(20)19-5-3-18(4-6-19)13-8-10(15)7-12-11(13)9-16-17-12/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyIIYOMHOSYPZOEP-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.27
Rot. Bonds2

About 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one

1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 121326426) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
PubChem CID121326426
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
InChIInChI=1S/C14H17ClN4O/c1-2-14(20)19-5-3-18(4-6-19)13-8-10(15)7-12-11(13)9-16-17-12/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyIIYOMHOSYPZOEP-UHFFFAOYSA-N
XLogP2.27
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 121326428
1-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-4-carboxamide
CID 121326810
1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 121326388
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]ethanone
CID 158303166
1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 121326406
N-[4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]phenyl]methanesulfonamide
CID 146647459
8-(6-chloro-1H-indazol-4-yl)-3-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 121327101
1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-ol
CID 146516487
3-(6-chloro-1H-indazol-4-yl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 121326664
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166328389
6-chloro-4-[4-(4-methylphenyl)piperidin-1-yl]-1H-indazole;S-methylthiohydroxylamine
CID 145075688

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one (CID 121326426) is 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.
What is the InChIKey of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is IIYOMHOSYPZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-14(20)19-5-3-18(4-6-19)13-8-10(15)7-12-11(13)9-16-17-12/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one?
1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 292.77 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121326426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).