3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine

C17H27N5O2 — CID 86687174

IUPAC3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2cnn(CCOC3CCCCO3)c2)n1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)14-10-15(18)22(20-14)13-11-19-21(12-13)7-9-24-16-6-4-5-8-23-16/h10-12,16H,4-9,18H2,1-3H3
InChIKeyLOBWWLJYSLJGRH-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.49
Rot. Bonds5

About 3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine

3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine (PubChem CID 86687174) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine
PubChem CID86687174
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2cnn(CCOC3CCCCO3)c2)n1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)14-10-15(18)22(20-14)13-11-19-21(12-13)7-9-24-16-6-4-5-8-23-16/h10-12,16H,4-9,18H2,1-3H3
InChIKeyLOBWWLJYSLJGRH-UHFFFAOYSA-N
XLogP2.49
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]borinic acid
CID 45382218
6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 89443564
1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
CID 124673951
5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine
CID 79547917
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194
1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol
CID 66831605
1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
CID 113482722

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine (CID 86687174) is 3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine is CC(C)(C)c1cc(N)n(-c2cnn(CCOC3CCCCO3)c2)n1.
What is the InChIKey of 3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine?
The InChIKey is LOBWWLJYSLJGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-17(2,3)14-10-15(18)22(20-14)13-11-19-21(12-13)7-9-24-16-6-4-5-8-23-16/h10-12,16H,4-9,18H2,1-3H3.
What are the key properties of 3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine?
3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine has a molecular weight of 333.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine is sourced from PubChem (CID 86687174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).