(1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone

C16H21N3O3 — CID 124609246

IUPAC(1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCO[C@H](c3ccco3)C2)cn1
InChIInChI=1S/C16H21N3O3/c1-16(2,3)19-10-12(9-17-19)15(20)18-6-8-22-14(11-18)13-5-4-7-21-13/h4-5,7,9-10,14H,6,8,11H2,1-3H3/t14-/m0/s1
InChIKeyZFWIFATXSZCWKL-AWEZNQCLSA-N
MW303.36 g/mol
LogP2.44
Rot. Bonds2

About (1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone

(1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone (PubChem CID 124609246) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
PubChem CID124609246
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCO[C@H](c3ccco3)C2)cn1
InChIInChI=1S/C16H21N3O3/c1-16(2,3)19-10-12(9-17-19)15(20)18-6-8-22-14(11-18)13-5-4-7-21-13/h4-5,7,9-10,14H,6,8,11H2,1-3H3/t14-/m0/s1
InChIKeyZFWIFATXSZCWKL-AWEZNQCLSA-N
XLogP2.44
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682530
2-[(2S)-4-(1-tert-butylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124682528
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609210
(2,6-dimethylpyrimidin-4-yl)-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 136530433
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 138000629
(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609222
(1-methylpyrazol-4-yl)-[2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
CID 75501601
(1-tert-butylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635107
1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124567918
(2S)-1-[(2R)-2-(furan-2-yl)morpholin-4-yl]-3-methyl-2-pyridin-4-ylbutan-1-one
CID 124851606
[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110097811
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-ethylpyrazol-4-yl)methanone
CID 56755726

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone (CID 124609246) is (1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone is CC(C)(C)n1cc(C(=O)N2CCO[C@H](c3ccco3)C2)cn1.
What is the InChIKey of (1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
The InChIKey is ZFWIFATXSZCWKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(2,3)19-10-12(9-17-19)15(20)18-6-8-22-14(11-18)13-5-4-7-21-13/h4-5,7,9-10,14H,6,8,11H2,1-3H3/t14-/m0/s1.
What are the key properties of (1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone?
(1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone has a molecular weight of 303.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrazol-4-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124609246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).