[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C18H21N3O2 — CID 124982330

IUPAC[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCC2)N1CCOC[C@H]1c1ccn[nH]1
InChIInChI=1S/C18H21N3O2/c22-18(15-6-5-13-3-1-2-4-14(13)11-15)21-9-10-23-12-17(21)16-7-8-19-20-16/h5-8,11,17H,1-4,9-10,12H2,(H,19,20)/t17-/m0/s1
InChIKeyMWGWECLVXUELJX-KRWDZBQOSA-N
MW311.38 g/mol
LogP2.50
Rot. Bonds2

About [(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 124982330) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID124982330
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCC2)N1CCOC[C@H]1c1ccn[nH]1
InChIInChI=1S/C18H21N3O2/c22-18(15-6-5-13-3-1-2-4-14(13)11-15)21-9-10-23-12-17(21)16-7-8-19-20-16/h5-8,11,17H,1-4,9-10,12H2,(H,19,20)/t17-/m0/s1
InChIKeyMWGWECLVXUELJX-KRWDZBQOSA-N
XLogP2.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(dimethylamino)methyl]phenyl]-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125002959
(3-fluoro-4-methoxyphenyl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124976007
(2-methyl-3H-benzimidazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110132375
[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124955150
(2-cyclopropylpyrimidin-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114756
(6-methoxy-3-pyridinyl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125008509
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599
(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124962888
(1-methylpyrrol-2-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125019638
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124966215
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124989177
(3-ethyl-1,2-oxazol-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114705

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 124982330) is [(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is O=C(c1ccc2c(c1)CCCC2)N1CCOC[C@H]1c1ccn[nH]1.
What is the InChIKey of [(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is MWGWECLVXUELJX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(15-6-5-13-3-1-2-4-14(13)11-15)21-9-10-23-12-17(21)16-7-8-19-20-16/h5-8,11,17H,1-4,9-10,12H2,(H,19,20)/t17-/m0/s1.
What are the key properties of [(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 124982330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).