7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane

C18H23N3O2 — CID 135106659

IUPAC7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane
SMILESCOc1ccc(-c2[nH]ncc2CN2CCC3(CCO3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-22-16-4-2-14(3-5-16)17-15(12-19-20-17)13-21-9-6-18(7-10-21)8-11-23-18/h2-5,12H,6-11,13H2,1H3,(H,19,20)
InChIKeyWCXFLCITEFGPBG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.84
Rot. Bonds4

About 7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane

7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane (PubChem CID 135106659) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane
PubChem CID135106659
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane
SMILESCOc1ccc(-c2[nH]ncc2CN2CCC3(CCO3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c1-22-16-4-2-14(3-5-16)17-15(12-19-20-17)13-21-9-6-18(7-10-21)8-11-23-18/h2-5,12H,6-11,13H2,1H3,(H,19,20)
InChIKeyWCXFLCITEFGPBG-UHFFFAOYSA-N
XLogP2.84
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907591
2-[(2S)-1-cyclopentyl-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28810241
4-[(4-methoxyphenyl)methyl]-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 26352505
4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine
CID 25286681
(3R,4R)-4-(azepan-1-yl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-ol
CID 45241751
(3aS,4S,7aR)-4-ethyl-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 163317280
1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine
CID 146044844
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138383083
(3S,4R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770498
ethyl (3S)-3-(2-methoxyethyl)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 42197367
4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidine
CID 42431676
2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol
CID 171780756

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane (CID 135106659) is 7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane is COc1ccc(-c2[nH]ncc2CN2CCC3(CCO3)CC2)cc1.
What is the InChIKey of 7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane?
The InChIKey is WCXFLCITEFGPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-22-16-4-2-14(3-5-16)17-15(12-19-20-17)13-21-9-6-18(7-10-21)8-11-23-18/h2-5,12H,6-11,13H2,1H3,(H,19,20).
What are the key properties of 7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane?
7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane has a molecular weight of 313.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 135106659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).