2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane

C19H25N3O — CID 74242185

IUPAC2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane
SMILESc1cc(CN2CCCC3(CCOCC3)C2)cc(-n2cccn2)c1
InChIInChI=1S/C19H25N3O/c1-4-17(14-18(5-1)22-11-3-9-20-22)15-21-10-2-6-19(16-21)7-12-23-13-8-19/h1,3-5,9,11,14H,2,6-8,10,12-13,15-16H2
InChIKeyNPXMVDPHVGMAQO-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.26
Rot. Bonds3

About 2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane

2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane (PubChem CID 74242185) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane
PubChem CID74242185
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane
SMILESc1cc(CN2CCCC3(CCOCC3)C2)cc(-n2cccn2)c1
InChIInChI=1S/C19H25N3O/c1-4-17(14-18(5-1)22-11-3-9-20-22)15-21-10-2-6-19(16-21)7-12-23-13-8-19/h1,3-5,9,11,14H,2,6-8,10,12-13,15-16H2
InChIKeyNPXMVDPHVGMAQO-UHFFFAOYSA-N
XLogP3.26
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706816
2-[3-(9-oxa-2-azaspiro[5.5]undecan-2-ylmethyl)phenoxy]ethanol
CID 74233599
(5R)-9-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decane
CID 97210012
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729618
1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane
CID 70735219
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
1,10-dimethyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72845317
2-(2-methyltetrazol-5-yl)-4-[(3-pyrazol-1-ylphenyl)methyl]morpholine
CID 157011317
(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 129484487
1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 118765657
9-(cyclopropylmethyl)-2-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 70711055

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane?
The IUPAC name of 2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane (CID 74242185) is 2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane is c1cc(CN2CCCC3(CCOCC3)C2)cc(-n2cccn2)c1.
What is the InChIKey of 2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane?
The InChIKey is NPXMVDPHVGMAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-17(14-18(5-1)22-11-3-9-20-22)15-21-10-2-6-19(16-21)7-12-23-13-8-19/h1,3-5,9,11,14H,2,6-8,10,12-13,15-16H2.
What are the key properties of 2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane?
2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane has a molecular weight of 311.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrazol-1-ylphenyl)methyl]-9-oxa-2-azaspiro[5.5]undecane is sourced from PubChem (CID 74242185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).