2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane

C21H29N3O — CID 138707945

IUPAC2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane
SMILESCc1cccc(-n2cc(N3CCC4(CCOCC4)C3)c(C(C)C)n2)c1
InChIInChI=1S/C21H29N3O/c1-16(2)20-19(14-24(22-20)18-6-4-5-17(3)13-18)23-10-7-21(15-23)8-11-25-12-9-21/h4-6,13-14,16H,7-12,15H2,1-3H3
InChIKeyDEABGLPCCUVOOU-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.31
Rot. Bonds3

About 2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane

2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane (PubChem CID 138707945) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane
PubChem CID138707945
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane
SMILESCc1cccc(-n2cc(N3CCC4(CCOCC4)C3)c(C(C)C)n2)c1
InChIInChI=1S/C21H29N3O/c1-16(2)20-19(14-24(22-20)18-6-4-5-17(3)13-18)23-10-7-21(15-23)8-11-25-12-9-21/h4-6,13-14,16H,7-12,15H2,1-3H3
InChIKeyDEABGLPCCUVOOU-UHFFFAOYSA-N
XLogP4.31
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane with MolForge

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

Launch Full Analysis

Related Compounds

4-(fluoromethyl)-1-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]piperidine
CID 138707917
2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane
CID 141382872
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028701
7-(5-tert-butyl-2-propan-2-ylphenyl)-2-oxa-7-azaspiro[4.4]nonane
CID 176746561
2-[3-chloro-2-(chloromethyl)phenyl]-8-oxa-2-azaspiro[4.5]decane
CID 114279408
4-[4-[1-[3-(3-methoxyazetidin-1-yl)phenyl]-3-propan-2-ylpyrazol-4-yl]phenyl]morpholine
CID 138707918
9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-3-oxa-9-azaspiro[5.5]undecane
CID 131963146
[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
CID 50849333
4-(1-bromoethyl)-1-(3-methylphenyl)triazole
CID 81445146
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
4-[4-[1-(3-methylphenyl)triazol-4-yl]-1,3-thiazol-2-yl]morpholine
CID 166230979
2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
CID 82483749

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane (CID 138707945) is 2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane is Cc1cccc(-n2cc(N3CCC4(CCOCC4)C3)c(C(C)C)n2)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is DEABGLPCCUVOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16(2)20-19(14-24(22-20)18-6-4-5-17(3)13-18)23-10-7-21(15-23)8-11-25-12-9-21/h4-6,13-14,16H,7-12,15H2,1-3H3.
What are the key properties of 2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane?
2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 339.48 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 138707945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).