(2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C17H22ClFN4O2 — CID 120935409

IUPAC(2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C17H21FN4O2.ClH/c1-12-16(19-9-11-24-12)17(23)20-8-6-14-7-10-22(21-14)15-4-2-13(18)3-5-15;/h2-5,7,10,12,16,19H,6,8-9,11H2,1H3,(H,20,23);1H/t12-,16+;/m1./s1
InChIKeyYGTPDUWFEWVEQR-KKJWGQAZSA-N
MW368.84 g/mol
LogP1.47
Rot. Bonds5

About (2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120935409) has the molecular formula C17H22ClFN4O2 and a molecular weight of 368.84 g/mol. Its IUPAC name is (2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120935409
Molecular FormulaC17H22ClFN4O2
Molecular Weight368.84 g/mol
Exact Mass368.14
IUPAC Name(2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C17H21FN4O2.ClH/c1-12-16(19-9-11-24-12)17(23)20-8-6-14-7-10-22(21-14)15-4-2-13(18)3-5-15;/h2-5,7,10,12,16,19H,6,8-9,11H2,1H3,(H,20,23);1H/t12-,16+;/m1./s1
InChIKeyYGTPDUWFEWVEQR-KKJWGQAZSA-N
XLogP1.47
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
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(2R,3S)-N-[2-(2-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
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CID 120918381
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2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
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(2R,3S)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
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(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
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(2R,3S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120935409) is (2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1.Cl.
What is the InChIKey of (2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is YGTPDUWFEWVEQR-KKJWGQAZSA-N. The full InChI is InChI=1S/C17H21FN4O2.ClH/c1-12-16(19-9-11-24-12)17(23)20-8-6-14-7-10-22(21-14)15-4-2-13(18)3-5-15;/h2-5,7,10,12,16,19H,6,8-9,11H2,1H3,(H,20,23);1H/t12-,16+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 368.84 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120935409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).