1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone

C14H17ClN4O2 — CID 121326711

IUPAC1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1CO
InChIInChI=1S/C14H17ClN4O2/c1-9(21)19-3-2-18(7-11(19)8-20)14-5-10(15)4-13-12(14)6-16-17-13/h4-6,11,20H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyYBROPVXJODLQFN-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.25
Rot. Bonds2

About 1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone

1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone (PubChem CID 121326711) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone
PubChem CID121326711
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1CO
InChIInChI=1S/C14H17ClN4O2/c1-9(21)19-3-2-18(7-11(19)8-20)14-5-10(15)4-13-12(14)6-16-17-13/h4-6,11,20H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyYBROPVXJODLQFN-UHFFFAOYSA-N
XLogP1.25
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone (CID 121326711) is 1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1CO.
What is the InChIKey of 1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone?
The InChIKey is YBROPVXJODLQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9(21)19-3-2-18(7-11(19)8-20)14-5-10(15)4-13-12(14)6-16-17-13/h4-6,11,20H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of 1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone?
1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone has a molecular weight of 308.77 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1H-indazol-4-yl)-2-(hydroxymethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 121326711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).