(2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine

C18H23N3O2 — CID 71656530

IUPAC(2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine
SMILESc1cc([C@H]2CNCCO2)ccc1-c1cc(C2CCOCC2)[nH]n1
InChIInChI=1S/C18H23N3O2/c1-3-15(18-12-19-7-10-23-18)4-2-13(1)16-11-17(21-20-16)14-5-8-22-9-6-14/h1-4,11,14,18-19H,5-10,12H2,(H,20,21)/t18-/m1/s1
InChIKeyIHHVBWMDGHWRLN-GOSISDBHSA-N
MW313.40 g/mol
LogP2.63
Rot. Bonds3

About (2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine

(2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine (PubChem CID 71656530) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine
PubChem CID71656530
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine
SMILESc1cc([C@H]2CNCCO2)ccc1-c1cc(C2CCOCC2)[nH]n1
InChIInChI=1S/C18H23N3O2/c1-3-15(18-12-19-7-10-23-18)4-2-13(1)16-11-17(21-20-16)14-5-8-22-9-6-14/h1-4,11,14,18-19H,5-10,12H2,(H,20,21)/t18-/m1/s1
InChIKeyIHHVBWMDGHWRLN-GOSISDBHSA-N
XLogP2.63
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzonitrile
CID 71656527
N-[(2S*,4R*,6S*)-2-benzyl-6-(5-tert-butyl-1H-pyrazol-3-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50970864
N-[(4-methyl-1H-pyrazol-5-yl)methyl]-1-[4-(oxan-4-yloxymethyl)phenyl]methanamine
CID 126808607
4-[2-[(3,4-difluorophenyl)-(1H-pyrazol-5-yl)methoxy]ethyl]morpholine
CID 67991968
4-[3-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]propyl]morpholine
CID 67991976
4-[2-[(3,4-difluorophenyl)-(5-methyl-1H-pyrazol-3-yl)methoxy]ethyl]morpholine
CID 67992015
2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
CID 71656423
2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
CID 71656424
4-[5-(4-morpholin-2-ylphenyl)-1H-pyrazol-3-yl]benzonitrile
CID 71656426
(2S)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine
CID 71656528
(2R)-2-[4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]phenyl]morpholine
CID 71656529
4-[5-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazol-3-yl]benzonitrile
CID 71656531

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine?
The IUPAC name of (2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine (CID 71656530) is (2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine is c1cc([C@H]2CNCCO2)ccc1-c1cc(C2CCOCC2)[nH]n1.
What is the InChIKey of (2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine?
The InChIKey is IHHVBWMDGHWRLN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-15(18-12-19-7-10-23-18)4-2-13(1)16-11-17(21-20-16)14-5-8-22-9-6-14/h1-4,11,14,18-19H,5-10,12H2,(H,20,21)/t18-/m1/s1.
What are the key properties of (2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine?
(2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine has a molecular weight of 313.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[5-(oxan-4-yl)-1H-pyrazol-3-yl]phenyl]morpholine is sourced from PubChem (CID 71656530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).