2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol

C14H21N3O3 — CID 162811894

IUPAC2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESOC1C(NC2CCCC2)C2COC(O2)C1n1cccn1
InChIInChI=1S/C14H21N3O3/c18-13-11(16-9-4-1-2-5-9)10-8-19-14(20-10)12(13)17-7-3-6-15-17/h3,6-7,9-14,16,18H,1-2,4-5,8H2
InChIKeyZSWZMKSJLVOTRY-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.44
Rot. Bonds3

About 2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol

2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 162811894) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID162811894
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESOC1C(NC2CCCC2)C2COC(O2)C1n1cccn1
InChIInChI=1S/C14H21N3O3/c18-13-11(16-9-4-1-2-5-9)10-8-19-14(20-10)12(13)17-7-3-6-15-17/h3,6-7,9-14,16,18H,1-2,4-5,8H2
InChIKeyZSWZMKSJLVOTRY-UHFFFAOYSA-N
XLogP0.44
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 162811894) is 2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol is OC1C(NC2CCCC2)C2COC(O2)C1n1cccn1.
What is the InChIKey of 2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZSWZMKSJLVOTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-13-11(16-9-4-1-2-5-9)10-8-19-14(20-10)12(13)17-7-3-6-15-17/h3,6-7,9-14,16,18H,1-2,4-5,8H2.
What are the key properties of 2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol?
2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 279.34 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-4-pyrazol-1-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 162811894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).