[(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol

C16H27N3O2 — CID 99854232

IUPAC[(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol
SMILESCn1cc(CN2CCO[C@H](CO)C2)c(C2CCCCC2)n1
InChIInChI=1S/C16H27N3O2/c1-18-9-14(10-19-7-8-21-15(11-19)12-20)16(17-18)13-5-3-2-4-6-13/h9,13,15,20H,2-8,10-12H2,1H3/t15-/m0/s1
InChIKeyYJYOUGYFAFYWMF-HNNXBMFYSA-N
MW293.41 g/mol
LogP1.66
Rot. Bonds4

About [(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol

[(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol (PubChem CID 99854232) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol
PubChem CID99854232
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol
SMILESCn1cc(CN2CCO[C@H](CO)C2)c(C2CCCCC2)n1
InChIInChI=1S/C16H27N3O2/c1-18-9-14(10-19-7-8-21-15(11-19)12-20)16(17-18)13-5-3-2-4-6-13/h9,13,15,20H,2-8,10-12H2,1H3/t15-/m0/s1
InChIKeyYJYOUGYFAFYWMF-HNNXBMFYSA-N
XLogP1.66
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol
CID 126788027
1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 86796019
[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136568086
1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909798
[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393371
4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholine-3-carbonitrile
CID 75504066
[4-[(5-methyl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]methanol
CID 115772870
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
CID 91648632
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
2-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-3-methoxyazetidin-3-yl]-2,2-difluoroacetic acid
CID 167773444
(2S)-N-cyclopentyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 92633348

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol (CID 99854232) is [(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol is Cn1cc(CN2CCO[C@H](CO)C2)c(C2CCCCC2)n1.
What is the InChIKey of [(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol?
The InChIKey is YJYOUGYFAFYWMF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-18-9-14(10-19-7-8-21-15(11-19)12-20)16(17-18)13-5-3-2-4-6-13/h9,13,15,20H,2-8,10-12H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol?
[(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol has a molecular weight of 293.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 99854232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).