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

C18H23N5O3 — CID 119945711

IUPAC2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCC1CN(C(=O)Cn2cc(NC(=O)c3ccccc3N)cn2)CC(C)O1
InChIInChI=1S/C18H23N5O3/c1-12-8-22(9-13(2)26-12)17(24)11-23-10-14(7-20-23)21-18(25)15-5-3-4-6-16(15)19/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,21,25)
InChIKeyRXDPVMDHCMUGKX-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.35
Rot. Bonds4

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

2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide (PubChem CID 119945711) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide
PubChem CID119945711
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCC1CN(C(=O)Cn2cc(NC(=O)c3ccccc3N)cn2)CC(C)O1
InChIInChI=1S/C18H23N5O3/c1-12-8-22(9-13(2)26-12)17(24)11-23-10-14(7-20-23)21-18(25)15-5-3-4-6-16(15)19/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,21,25)
InChIKeyRXDPVMDHCMUGKX-UHFFFAOYSA-N
XLogP1.35
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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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]benzamide?
The IUPAC name of 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide (CID 119945711) is 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide is CC1CN(C(=O)Cn2cc(NC(=O)c3ccccc3N)cn2)CC(C)O1.
What is the InChIKey of 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide?
The InChIKey is RXDPVMDHCMUGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-8-22(9-13(2)26-12)17(24)11-23-10-14(7-20-23)21-18(25)15-5-3-4-6-16(15)19/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,21,25).
What are the key properties of 2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide?
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 1.35, 4 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]benzamide is sourced from PubChem (CID 119945711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).