1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C19H20N4O2 — CID 7537829

IUPAC1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N4O2/c1-25-15-8-6-14(7-9-15)22-10-12-23(13-11-22)19(24)18-16-4-2-3-5-17(16)20-21-18/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyNAFDIRYIAQYYOF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.53
Rot. Bonds3

About 1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 7537829) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID7537829
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N4O2/c1-25-15-8-6-14(7-9-15)22-10-12-23(13-11-22)19(24)18-16-4-2-3-5-17(16)20-21-18/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyNAFDIRYIAQYYOF-UHFFFAOYSA-N
XLogP2.53
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 7537829) is 1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is NAFDIRYIAQYYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-15-8-6-14(7-9-15)22-10-12-23(13-11-22)19(24)18-16-4-2-3-5-17(16)20-21-18/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of 1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 7537829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).