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

C13H21FN4O2 — CID 99829743

IUPAC(2R)-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-/m0/s1
InChIKeyRQJNGECSAHVXQC-LBPRGKRZSA-N
MW284.33 g/mol
LogP1.35
Rot. Bonds5

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

(2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide (PubChem CID 99829743) has the molecular formula C13H21FN4O2 and a molecular weight of 284.33 g/mol. Its IUPAC name is (2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide
PubChem CID99829743
Molecular FormulaC13H21FN4O2
Molecular Weight284.33 g/mol
Exact Mass284.16
IUPAC Name(2R)-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-/m0/s1
InChIKeyRQJNGECSAHVXQC-LBPRGKRZSA-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'}

Analyze (2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 71695337
2-methyl-2-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 71756151
N,2-dimethyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 71851473
2-(hydroxymethyl)-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
CID 132385627
2-ethyl-2-methyl-N-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}morpholine-4-carboxamide
CID 121523606
(2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine
CID 166121372
2-(1-Cyclopropylpyrazol-4-yl)-6-(1-fluoropropyl)morpholine
CID 166122266
(2S,6R)-2-[1-(difluoromethyl)pyrazol-4-yl]-6-methylmorpholine
CID 166122705
2,2-Difluoro-6-(1-methylpyrazol-4-yl)morpholin-3-one
CID 170711442
2,2-Difluoro-6-(1-methylpyrazol-4-yl)morpholine
CID 170711803
2-(1-Cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine
CID 175546376
(2R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine
CID 175546378

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide (CID 99829743) is (2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-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 (2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide?
The InChIKey is RQJNGECSAHVXQC-LBPRGKRZSA-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-/m0/s1.
What are the key properties of (2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide?
(2R)-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 (2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide is sourced from PubChem (CID 99829743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).