(5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone

C17H25N3O3 — CID 126790639

IUPAC(5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone
SMILESO=C(c1cc(C2CCCCC2)[nH]n1)N1CCOCC12CCOC2
InChIInChI=1S/C17H25N3O3/c21-16(20-7-9-23-12-17(20)6-8-22-11-17)15-10-14(18-19-15)13-4-2-1-3-5-13/h10,13H,1-9,11-12H2,(H,18,19)
InChIKeyPQCOBCSCIOWIIT-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.09
Rot. Bonds2

About (5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone

(5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone (PubChem CID 126790639) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone
PubChem CID126790639
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone
SMILESO=C(c1cc(C2CCCCC2)[nH]n1)N1CCOCC12CCOC2
InChIInChI=1S/C17H25N3O3/c21-16(20-7-9-23-12-17(20)6-8-22-11-17)15-10-14(18-19-15)13-4-2-1-3-5-13/h10,13H,1-9,11-12H2,(H,18,19)
InChIKeyPQCOBCSCIOWIIT-UHFFFAOYSA-N
XLogP2.09
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone (CID 126790639) is (5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone is O=C(c1cc(C2CCCCC2)[nH]n1)N1CCOCC12CCOC2.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone?
The InChIKey is PQCOBCSCIOWIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16(20-7-9-23-12-17(20)6-8-22-11-17)15-10-14(18-19-15)13-4-2-1-3-5-13/h10,13H,1-9,11-12H2,(H,18,19).
What are the key properties of (5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone?
(5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-3-yl)-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)methanone is sourced from PubChem (CID 126790639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).