1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one

C19H25N3O2 — CID 42565145

IUPAC1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cn[nH]c1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c23-19(10-9-17-13-20-21-14-17)22-11-12-24-18(15-22)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,20,21)/t18-/m0/s1
InChIKeyZROLLFDNHQEORE-SFHVURJKSA-N
MW327.43 g/mol
LogP2.59
Rot. Bonds7

About 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one

1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 42565145) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one
PubChem CID42565145
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESO=C(CCc1cn[nH]c1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c23-19(10-9-17-13-20-21-14-17)22-11-12-24-18(15-22)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,20,21)/t18-/m0/s1
InChIKeyZROLLFDNHQEORE-SFHVURJKSA-N
XLogP2.59
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one (CID 42565145) is 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one is O=C(CCc1cn[nH]c1)N1CCO[C@@H](CCCc2ccccc2)C1.
What is the InChIKey of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The InChIKey is ZROLLFDNHQEORE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19(10-9-17-13-20-21-14-17)22-11-12-24-18(15-22)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,20,21)/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 42565145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).