(6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C19H26N4O2 — CID 95722295

IUPAC(6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1ccc(Cn2cccn2)c(CN2CCO[C@]3(CNCCOC3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-2-5-18(13-23-8-3-6-21-23)17(4-1)12-22-9-11-25-19(15-22)14-20-7-10-24-16-19/h1-6,8,20H,7,9-16H2/t19-/m1/s1
InChIKeyBHLMHVRJXVDVPF-LJQANCHMSA-N
MW342.44 g/mol
LogP1.12
Rot. Bonds4

About (6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

(6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 95722295) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID95722295
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1ccc(Cn2cccn2)c(CN2CCO[C@]3(CNCCOC3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-2-5-18(13-23-8-3-6-21-23)17(4-1)12-22-9-11-25-19(15-22)14-20-7-10-24-16-19/h1-6,8,20H,7,9-16H2/t19-/m1/s1
InChIKeyBHLMHVRJXVDVPF-LJQANCHMSA-N
XLogP1.12
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Phenylpropyl)-2-(pyrazol-1-ylmethyl)morpholine
CID 53557637
3-(hydroxymethyl)-1-[2-(1H-pyrazol-1-ylmethyl)benzyl]-3-piperidinol
CID 70765183
N-[[1-[2-[(2S)-2-ethylmorpholin-4-yl]ethyl]-3-methylpyrazol-4-yl]methyl]-1-(2-methylphenyl)methanamine
CID 95147164
(6R)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95707584
9-[(1-Benzylpyrazol-4-yl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 122139658
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-sulfonamide
CID 45804556
Sdccgsbi-0114605.P001
CID 45225828
(3R)-1-benzyl-3-(methoxymethyl)-5,5-dimethyl-3-(pyrazol-1-ylmethyl)piperazine
CID 162404086
4-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
CID 56891234
4-(2,3-difluorobenzyl)-2-(1H-pyrazol-1-ylmethyl)-1,4-oxazepane
CID 77086847
(6R)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95714275
(6S)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95714276

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 95722295) is (6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is c1ccc(Cn2cccn2)c(CN2CCO[C@]3(CNCCOC3)C2)c1.
What is the InChIKey of (6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is BHLMHVRJXVDVPF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-5-18(13-23-8-3-6-21-23)17(4-1)12-22-9-11-25-19(15-22)14-20-7-10-24-16-19/h1-6,8,20H,7,9-16H2/t19-/m1/s1.
What are the key properties of (6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
(6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 342.44 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 95722295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).