(2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride

C17H23ClN4O2 — CID 120924763

IUPAC(2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(Cn2cccn2)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-13-16(18-8-10-23-13)17(22)19-11-14-3-5-15(6-4-14)12-21-9-2-7-20-21;/h2-7,9,13,16,18H,8,10-12H2,1H3,(H,19,22);1H/t13-,16+;/m1./s1
InChIKeyHSIPJEAKGVTOCT-CACIRBSMSA-N
MW350.85 g/mol
LogP1.35
Rot. Bonds5

About (2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120924763) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120924763
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name(2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(Cn2cccn2)cc1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-13-16(18-8-10-23-13)17(22)19-11-14-3-5-15(6-4-14)12-21-9-2-7-20-21;/h2-7,9,13,16,18H,8,10-12H2,1H3,(H,19,22);1H/t13-,16+;/m1./s1
InChIKeyHSIPJEAKGVTOCT-CACIRBSMSA-N
XLogP1.35
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120927680
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120938886
(2R,3S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939080
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119727025
(2R,3S)-2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 120938878
(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
CID 120931676
(2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide
CID 120940633
(2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938479
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938955
cis-(1R,3S)-2,2-dimethyl-3-[[4-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122099583

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride (CID 120924763) is (2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCc1ccc(Cn2cccn2)cc1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is HSIPJEAKGVTOCT-CACIRBSMSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-13-16(18-8-10-23-13)17(22)19-11-14-3-5-15(6-4-14)12-21-9-2-7-20-21;/h2-7,9,13,16,18H,8,10-12H2,1H3,(H,19,22);1H/t13-,16+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120924763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).