2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride

C20H28ClN5O3 — CID 120593181

IUPAC2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
SMILESCC1CN(C(=O)Cn2cc(NC(=O)C(C)(N)c3ccccc3)cn2)CC(C)O1.Cl
InChIInChI=1S/C20H27N5O3.ClH/c1-14-10-24(11-15(2)28-14)18(26)13-25-12-17(9-22-25)23-19(27)20(3,21)16-7-5-4-6-8-16;/h4-9,12,14-15H,10-11,13,21H2,1-3H3,(H,23,27);1H
InChIKeyGGKJGQFACUSTEU-UHFFFAOYSA-N
MW421.93 g/mol
LogP1.75
Rot. Bonds5

About 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride

2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride (PubChem CID 120593181) has the molecular formula C20H28ClN5O3 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
PubChem CID120593181
Molecular FormulaC20H28ClN5O3
Molecular Weight421.93 g/mol
Exact Mass421.19
IUPAC Name2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
SMILESCC1CN(C(=O)Cn2cc(NC(=O)C(C)(N)c3ccccc3)cn2)CC(C)O1.Cl
InChIInChI=1S/C20H27N5O3.ClH/c1-14-10-24(11-15(2)28-14)18(26)13-25-12-17(9-22-25)23-19(27)20(3,21)16-7-5-4-6-8-16;/h4-9,12,14-15H,10-11,13,21H2,1-3H3,(H,23,27);1H
InChIKeyGGKJGQFACUSTEU-UHFFFAOYSA-N
XLogP1.75
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride (CID 120593181) is 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride is CC1CN(C(=O)Cn2cc(NC(=O)C(C)(N)c3ccccc3)cn2)CC(C)O1.Cl.
What is the InChIKey of 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride?
The InChIKey is GGKJGQFACUSTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3.ClH/c1-14-10-24(11-15(2)28-14)18(26)13-25-12-17(9-22-25)23-19(27)20(3,21)16-7-5-4-6-8-16;/h4-9,12,14-15H,10-11,13,21H2,1-3H3,(H,23,27);1H.
What are the key properties of 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride has a molecular weight of 421.93 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120593181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).