N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine

C14H23N3O — CID 91063262

IUPACN-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC2CCOC(C3CCC3)C2)cn1
InChIInChI=1S/C14H23N3O/c1-2-17-10-13(9-15-17)16-12-6-7-18-14(8-12)11-4-3-5-11/h9-12,14,16H,2-8H2,1H3
InChIKeyPJQAWIIARATAKJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.66
Rot. Bonds4

About N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine

N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine (PubChem CID 91063262) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine
PubChem CID91063262
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC2CCOC(C3CCC3)C2)cn1
InChIInChI=1S/C14H23N3O/c1-2-17-10-13(9-15-17)16-12-6-7-18-14(8-12)11-4-3-5-11/h9-12,14,16H,2-8H2,1H3
InChIKeyPJQAWIIARATAKJ-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine?
The IUPAC name of N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine (CID 91063262) is N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine?
The canonical SMILES for N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine is CCn1cc(NC2CCOC(C3CCC3)C2)cn1.
What is the InChIKey of N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine?
The InChIKey is PJQAWIIARATAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-17-10-13(9-15-17)16-12-6-7-18-14(8-12)11-4-3-5-11/h9-12,14,16H,2-8H2,1H3.
What are the key properties of N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine?
N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyloxan-4-yl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 91063262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).