N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

C19H24N4O4 — CID 56774566

IUPACN-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cc(C)nn2C)cc1
InChIInChI=1S/C19H24N4O4/c1-4-23-16(10-27-11-17(23)24)18(25)13-5-7-14(8-6-13)20-19(26)15-9-12(2)21-22(15)3/h5-9,16,18,25H,4,10-11H2,1-3H3,(H,20,26)/t16-,18-/m1/s1
InChIKeyDZSCYLXSYFVSEL-SJLPKXTDSA-N
MW372.43 g/mol
LogP1.26
Rot. Bonds5

About N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 56774566) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID56774566
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cc(C)nn2C)cc1
InChIInChI=1S/C19H24N4O4/c1-4-23-16(10-27-11-17(23)24)18(25)13-5-7-14(8-6-13)20-19(26)15-9-12(2)21-22(15)3/h5-9,16,18,25H,4,10-11H2,1-3H3,(H,20,26)/t16-,18-/m1/s1
InChIKeyDZSCYLXSYFVSEL-SJLPKXTDSA-N
XLogP1.26
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 56774566) is N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is CCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cc(C)nn2C)cc1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is DZSCYLXSYFVSEL-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-4-23-16(10-27-11-17(23)24)18(25)13-5-7-14(8-6-13)20-19(26)15-9-12(2)21-22(15)3/h5-9,16,18,25H,4,10-11H2,1-3H3,(H,20,26)/t16-,18-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 56774566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).