(6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide

C17H21ClN4O2 — CID 75471074

IUPAC(6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2Cl)CC(C(N)=O)O1
InChIInChI=1S/C17H21ClN4O2/c1-11-7-22(10-15(24-11)17(19)23)9-12-8-21(2)20-16(12)13-5-3-4-6-14(13)18/h3-6,8,11,15H,7,9-10H2,1-2H3,(H2,19,23)/t11-,15?/m1/s1
InChIKeyYPOCFXYOHAKNTA-ZRKZCGFPSA-N
MW348.83 g/mol
LogP1.82
Rot. Bonds4

About (6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide

(6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide (PubChem CID 75471074) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is (6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide
PubChem CID75471074
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name(6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2Cl)CC(C(N)=O)O1
InChIInChI=1S/C17H21ClN4O2/c1-11-7-22(10-15(24-11)17(19)23)9-12-8-21(2)20-16(12)13-5-3-4-6-14(13)18/h3-6,8,11,15H,7,9-10H2,1-2H3,(H2,19,23)/t11-,15?/m1/s1
InChIKeyYPOCFXYOHAKNTA-ZRKZCGFPSA-N
XLogP1.82
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide (CID 75471074) is (6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide is C[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2Cl)CC(C(N)=O)O1.
What is the InChIKey of (6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is YPOCFXYOHAKNTA-ZRKZCGFPSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-11-7-22(10-15(24-11)17(19)23)9-12-8-21(2)20-16(12)13-5-3-4-6-14(13)18/h3-6,8,11,15H,7,9-10H2,1-2H3,(H2,19,23)/t11-,15?/m1/s1.
What are the key properties of (6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide?
(6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 75471074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).