(2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide

C15H17ClN4O2 — CID 95979779

IUPAC(2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide
SMILESC[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C15H17ClN4O2/c1-10-9-22-14(12-4-2-3-5-13(12)16)8-20(10)15(21)19-11-6-17-18-7-11/h2-7,10,14H,8-9H2,1H3,(H,17,18)(H,19,21)/t10-,14-/m0/s1
InChIKeyPZHSOQJMBJKPBT-HZMBPMFUSA-N
MW320.78 g/mol
LogP3.06
Rot. Bonds2

About (2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide

(2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 95979779) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is (2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide
PubChem CID95979779
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name(2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide
SMILESC[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C15H17ClN4O2/c1-10-9-22-14(12-4-2-3-5-13(12)16)8-20(10)15(21)19-11-6-17-18-7-11/h2-7,10,14H,8-9H2,1H3,(H,17,18)(H,19,21)/t10-,14-/m0/s1
InChIKeyPZHSOQJMBJKPBT-HZMBPMFUSA-N
XLogP3.06
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 96511165
4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021175
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124568472
(2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide
CID 99806997
[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 95620407
[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 56786709
N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
CID 110369345

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of (2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide (CID 95979779) is (2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for (2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide is C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Nc1cn[nH]c1.
What is the InChIKey of (2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is PZHSOQJMBJKPBT-HZMBPMFUSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-10-9-22-14(12-4-2-3-5-13(12)16)8-20(10)15(21)19-11-6-17-18-7-11/h2-7,10,14H,8-9H2,1H3,(H,17,18)(H,19,21)/t10-,14-/m0/s1.
What are the key properties of (2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide?
(2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 95979779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).