propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol

C19H28N4O2 — CID 165127433

IUPACpropane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol
SMILESCCC.CCCn1cc(-c2n[nH]c3ccc(OC(C)CO)cc23)cn1
InChIInChI=1S/C16H20N4O2.C3H8/c1-3-6-20-9-12(8-17-20)16-14-7-13(22-11(2)10-21)4-5-15(14)18-19-16;1-3-2/h4-5,7-9,11,21H,3,6,10H2,1-2H3,(H,18,19);3H2,1-2H3
InChIKeyLDSOGUNZWIMWES-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.01
Rot. Bonds6

About propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol

propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol (PubChem CID 165127433) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol.

Molecular Properties

Compound Namepropane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol
PubChem CID165127433
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Namepropane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol
SMILESCCC.CCCn1cc(-c2n[nH]c3ccc(OC(C)CO)cc23)cn1
InChIInChI=1S/C16H20N4O2.C3H8/c1-3-6-20-9-12(8-17-20)16-14-7-13(22-11(2)10-21)4-5-15(14)18-19-16;1-3-2/h4-5,7-9,11,21H,3,6,10H2,1-2H3,(H,18,19);3H2,1-2H3
InChIKeyLDSOGUNZWIMWES-UHFFFAOYSA-N
XLogP4.01
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol with MolForge

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Related Compounds

5-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]-7-propan-2-ylquinoxaline
CID 171830430
1-propyl-4-(1H-pyrazol-4-yl)pyrazole
CID 131201406
N-methyl-8-[1-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 178046775
methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
CID 159062538
2-[4-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 122172910
(S)-(3,5-dichloro-4-pyridinyl)-[[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-5-yl]oxy]methanamine
CID 174339032
[3-fluoro-5-[2-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2-pyridinyl]methanol
CID 166099386
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 118657118
3-methyl-2-(1-propylpyrazol-4-yl)oxybutanoic acid
CID 116799986
3-[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]-5-[1-(3,5-difluorophenyl)ethoxy]-1H-indazole
CID 174223277
5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazole
CID 171408846
3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
CID 156577910

Frequently Asked Questions

What is the IUPAC name of propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol?
The IUPAC name of propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol (CID 165127433) is propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol.
What is the SMILES notation for propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol?
The canonical SMILES for propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol is CCC.CCCn1cc(-c2n[nH]c3ccc(OC(C)CO)cc23)cn1.
What is the InChIKey of propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol?
The InChIKey is LDSOGUNZWIMWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.C3H8/c1-3-6-20-9-12(8-17-20)16-14-7-13(22-11(2)10-21)4-5-15(14)18-19-16;1-3-2/h4-5,7-9,11,21H,3,6,10H2,1-2H3,(H,18,19);3H2,1-2H3.
What are the key properties of propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol?
propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol has a molecular weight of 344.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2-[[3-(1-propylpyrazol-4-yl)-1H-indazol-5-yl]oxy]propan-1-ol is sourced from PubChem (CID 165127433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).