(2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride

C20H29ClN4O2 — CID 120928000

IUPAC(2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
SMILESCc1ccccc1-n1nc(C)c(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)c1C.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-13-8-6-7-9-18(13)24-15(3)17(14(2)22-24)12-23(5)20(25)19-16(4)26-11-10-21-19;/h6-9,16,19,21H,10-12H2,1-5H3;1H/t16-,19+;/m1./s1
InChIKeyQIKORGDFVQWANW-VWJDFLIZSA-N
MW392.93 g/mol
LogP2.55
Rot. Bonds4

About (2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120928000) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is (2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
PubChem CID120928000
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name(2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
SMILESCc1ccccc1-n1nc(C)c(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)c1C.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-13-8-6-7-9-18(13)24-15(3)17(14(2)22-24)12-23(5)20(25)19-16(4)26-11-10-21-19;/h6-9,16,19,21H,10-12H2,1-5H3;1H/t16-,19+;/m1./s1
InChIKeyQIKORGDFVQWANW-VWJDFLIZSA-N
XLogP2.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119751324
(2R)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1,4-dioxane-2-carboxamide
CID 94616250
(2R,3S)-N,2-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938273
(2R,3S)-N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide;dihydrochloride
CID 120938281
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
9-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987257
(2R,3S)-N-[(2-bromophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918331
(2R,3S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920151
9-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120987258
(2R)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide
CID 119304754
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
(2S)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide
CID 119304736

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride (CID 120928000) is (2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride is Cc1ccccc1-n1nc(C)c(CN(C)C(=O)[C@H]2NCCO[C@@H]2C)c1C.Cl.
What is the InChIKey of (2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is QIKORGDFVQWANW-VWJDFLIZSA-N. The full InChI is InChI=1S/C20H28N4O2.ClH/c1-13-8-6-7-9-18(13)24-15(3)17(14(2)22-24)12-23(5)20(25)19-16(4)26-11-10-21-19;/h6-9,16,19,21H,10-12H2,1-5H3;1H/t16-,19+;/m1./s1.
What are the key properties of (2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120928000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).