1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone

C19H24N4O2 — CID 99633730

IUPAC1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone
SMILESO=C(Cn1cc(N[C@H]2CCc3ccccc3C2)cn1)N1CCOCC1
InChIInChI=1S/C19H24N4O2/c24-19(22-7-9-25-10-8-22)14-23-13-18(12-20-23)21-17-6-5-15-3-1-2-4-16(15)11-17/h1-4,12-13,17,21H,5-11,14H2/t17-/m0/s1
InChIKeyQYWREOVOLLZHGE-KRWDZBQOSA-N
MW340.43 g/mol
LogP1.71
Rot. Bonds4

About 1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone

1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone (PubChem CID 99633730) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone
PubChem CID99633730
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone
SMILESO=C(Cn1cc(N[C@H]2CCc3ccccc3C2)cn1)N1CCOCC1
InChIInChI=1S/C19H24N4O2/c24-19(22-7-9-25-10-8-22)14-23-13-18(12-20-23)21-17-6-5-15-3-1-2-4-16(15)11-17/h1-4,12-13,17,21H,5-11,14H2/t17-/m0/s1
InChIKeyQYWREOVOLLZHGE-KRWDZBQOSA-N
XLogP1.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone (CID 99633730) is 1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone is O=C(Cn1cc(N[C@H]2CCc3ccccc3C2)cn1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone?
The InChIKey is QYWREOVOLLZHGE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(22-7-9-25-10-8-22)14-23-13-18(12-20-23)21-17-6-5-15-3-1-2-4-16(15)11-17/h1-4,12-13,17,21H,5-11,14H2/t17-/m0/s1.
What are the key properties of 1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone?
1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pyrazol-1-yl]ethanone is sourced from PubChem (CID 99633730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).