(2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide

C13H21FN4O2 — CID 99829744

IUPAC(2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide
SMILESCCn1cc([C@H]2CN(C(=O)NCCCF)CCO2)cn1
InChIInChI=1S/C13H21FN4O2/c1-2-18-9-11(8-16-18)12-10-17(6-7-20-12)13(19)15-5-3-4-14/h8-9,12H,2-7,10H2,1H3,(H,15,19)/t12-/m1/s1
InChIKeyRQJNGECSAHVXQC-GFCCVEGCSA-N
MW284.33 g/mol
LogP1.35
Rot. Bonds5

About (2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide

(2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide (PubChem CID 99829744) has the molecular formula C13H21FN4O2 and a molecular weight of 284.33 g/mol. Its IUPAC name is (2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide
PubChem CID99829744
Molecular FormulaC13H21FN4O2
Molecular Weight284.33 g/mol
Exact Mass284.16
IUPAC Name(2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide
SMILESCCn1cc([C@H]2CN(C(=O)NCCCF)CCO2)cn1
InChIInChI=1S/C13H21FN4O2/c1-2-18-9-11(8-16-18)12-10-17(6-7-20-12)13(19)15-5-3-4-14/h8-9,12H,2-7,10H2,1H3,(H,15,19)/t12-/m1/s1
InChIKeyRQJNGECSAHVXQC-GFCCVEGCSA-N
XLogP1.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide (CID 99829744) is (2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide is CCn1cc([C@H]2CN(C(=O)NCCCF)CCO2)cn1.
What is the InChIKey of (2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide?
The InChIKey is RQJNGECSAHVXQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21FN4O2/c1-2-18-9-11(8-16-18)12-10-17(6-7-20-12)13(19)15-5-3-4-14/h8-9,12H,2-7,10H2,1H3,(H,15,19)/t12-/m1/s1.
What are the key properties of (2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide?
(2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide is sourced from PubChem (CID 99829744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).