(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone

C17H18BrN3O2 — CID 52534001

IUPAC(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1n[nH]c(C2CC2)c1Br)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H18BrN3O2/c18-14-15(12-6-7-12)19-20-16(14)17(22)21-8-9-23-13(10-21)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,19,20)/t13-/m1/s1
InChIKeyRPDWMMJDYSYBCX-CYBMUJFWSA-N
MW376.25 g/mol
LogP3.26
Rot. Bonds3

About (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone (PubChem CID 52534001) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
PubChem CID52534001
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1n[nH]c(C2CC2)c1Br)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H18BrN3O2/c18-14-15(12-6-7-12)19-20-16(14)17(22)21-8-9-23-13(10-21)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,19,20)/t13-/m1/s1
InChIKeyRPDWMMJDYSYBCX-CYBMUJFWSA-N
XLogP3.26
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 120748509
(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 107518605
(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97264285
(5-bromofuran-2-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 31414929
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47427180
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 94936140
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone (CID 52534001) is (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone is O=C(c1n[nH]c(C2CC2)c1Br)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is RPDWMMJDYSYBCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c18-14-15(12-6-7-12)19-20-16(14)17(22)21-8-9-23-13(10-21)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,19,20)/t13-/m1/s1.
What are the key properties of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone?
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 376.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 52534001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).