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

C21H29N3O2 — CID 126788027

IUPAC3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol
SMILESCn1cc(CN2CCOC(c3cccc(O)c3)C2)c(C2CCCCC2)n1
InChIInChI=1S/C21H29N3O2/c1-23-13-18(21(22-23)16-6-3-2-4-7-16)14-24-10-11-26-20(15-24)17-8-5-9-19(25)12-17/h5,8-9,12-13,16,20,25H,2-4,6-7,10-11,14-15H2,1H3
InChIKeyBNAVDPWLCZIHHF-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.75
Rot. Bonds4

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

3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol (PubChem CID 126788027) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol
PubChem CID126788027
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol
SMILESCn1cc(CN2CCOC(c3cccc(O)c3)C2)c(C2CCCCC2)n1
InChIInChI=1S/C21H29N3O2/c1-23-13-18(21(22-23)16-6-3-2-4-7-16)14-24-10-11-26-20(15-24)17-8-5-9-19(25)12-17/h5,8-9,12-13,16,20,25H,2-4,6-7,10-11,14-15H2,1H3
InChIKeyBNAVDPWLCZIHHF-UHFFFAOYSA-N
XLogP3.75
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]methanol
CID 99854232
3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol
CID 129433014
1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 86796019
N-[4-[[2-(3-hydroxyphenyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 154751593
3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol
CID 75514974
[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136568086
3-[(2R)-4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)morpholin-2-yl]phenol
CID 124622135
1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909798
4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholine
CID 127250503
2-[1-[(3-cyclobutyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpyrrolidin-3-yl]acetic acid
CID 166289559
3-cyclohexylphenol
CID 16036
3-[(2R)-4-(6-methyl-3-nitro-2-pyridinyl)morpholin-2-yl]phenol
CID 97069419

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol?
The IUPAC name of 3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol (CID 126788027) is 3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol.
What is the SMILES notation for 3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol?
The canonical SMILES for 3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol is Cn1cc(CN2CCOC(c3cccc(O)c3)C2)c(C2CCCCC2)n1.
What is the InChIKey of 3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol?
The InChIKey is BNAVDPWLCZIHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-23-13-18(21(22-23)16-6-3-2-4-7-16)14-24-10-11-26-20(15-24)17-8-5-9-19(25)12-17/h5,8-9,12-13,16,20,25H,2-4,6-7,10-11,14-15H2,1H3.
What are the key properties of 3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol?
3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol has a molecular weight of 355.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol is sourced from PubChem (CID 126788027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).