(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride

C15H18Cl2N4O2 — CID 120930805

IUPAC(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1.Cl
InChIInChI=1S/C15H17ClN4O2.ClH/c1-10-14(17-6-8-22-10)15(21)19-11-3-4-13(12(16)9-11)20-7-2-5-18-20;/h2-5,7,9-10,14,17H,6,8H2,1H3,(H,19,21);1H/t10-,14+;/m1./s1
InChIKeyWWPHMMOLJBCJSD-LOSLGVLSSA-N
MW357.24 g/mol
LogP2.26
Rot. Bonds3

About (2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120930805) has the molecular formula C15H18Cl2N4O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is (2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120930805
Molecular FormulaC15H18Cl2N4O2
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC Name(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1.Cl
InChIInChI=1S/C15H17ClN4O2.ClH/c1-10-14(17-6-8-22-10)15(21)19-11-3-4-13(12(16)9-11)20-7-2-5-18-20;/h2-5,7,9-10,14,17H,6,8H2,1H3,(H,19,21);1H/t10-,14+;/m1./s1
InChIKeyWWPHMMOLJBCJSD-LOSLGVLSSA-N
XLogP2.26
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 120939459
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(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694
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(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
(2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
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(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120930805) is (2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-n2cccn2)c(Cl)c1.Cl.
What is the InChIKey of (2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is WWPHMMOLJBCJSD-LOSLGVLSSA-N. The full InChI is InChI=1S/C15H17ClN4O2.ClH/c1-10-14(17-6-8-22-10)15(21)19-11-3-4-13(12(16)9-11)20-7-2-5-18-20;/h2-5,7,9-10,14,17H,6,8H2,1H3,(H,19,21);1H/t10-,14+;/m1./s1.
What are the key properties of (2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 357.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120930805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).