4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol

C19H20N4O3 — CID 162651974

IUPAC4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
SMILESO=[N+]([O-])c1ccc(C(c2c(O)ccc3[nH]ncc23)N2CCCCC2)cc1
InChIInChI=1S/C19H20N4O3/c24-17-9-8-16-15(12-20-21-16)18(17)19(22-10-2-1-3-11-22)13-4-6-14(7-5-13)23(25)26/h4-9,12,19,24H,1-3,10-11H2,(H,20,21)
InChIKeyNQNKVBYCSGVFAK-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.75
Rot. Bonds4

About 4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol

4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol (PubChem CID 162651974) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol.

Molecular Properties

Compound Name4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
PubChem CID162651974
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
SMILESO=[N+]([O-])c1ccc(C(c2c(O)ccc3[nH]ncc23)N2CCCCC2)cc1
InChIInChI=1S/C19H20N4O3/c24-17-9-8-16-15(12-20-21-16)18(17)19(22-10-2-1-3-11-22)13-4-6-14(7-5-13)23(25)26/h4-9,12,19,24H,1-3,10-11H2,(H,20,21)
InChIKeyNQNKVBYCSGVFAK-UHFFFAOYSA-N
XLogP3.75
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
CID 162643640
4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol
CID 162662166
4-[piperidin-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-5-ol
CID 162676829
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
CID 164621474
2-[(Z)-(1H-indazol-5-ylimino)methyl]-4-nitrophenol
CID 3110766
5-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]oxy-1H-indazole
CID 17838079
5-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]oxy-1H-indazole
CID 17838124
5-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol
CID 59159008
5-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol
CID 59159041
3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenol
CID 59159097
5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-iodophenol
CID 59159157
5-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]-2-methylphenol
CID 59159192

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol?
The IUPAC name of 4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol (CID 162651974) is 4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol.
What is the SMILES notation for 4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol?
The canonical SMILES for 4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol is O=[N+]([O-])c1ccc(C(c2c(O)ccc3[nH]ncc23)N2CCCCC2)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol?
The InChIKey is NQNKVBYCSGVFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-17-9-8-16-15(12-20-21-16)18(17)19(22-10-2-1-3-11-22)13-4-6-14(7-5-13)23(25)26/h4-9,12,19,24H,1-3,10-11H2,(H,20,21).
What are the key properties of 4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol?
4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol has a molecular weight of 352.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol is sourced from PubChem (CID 162651974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).