4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline

C19H28N4O2 — CID 86796350

IUPAC4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline
SMILESCOc1cc(N2CCOC(C)(C)C2)ccc1NC(C)Cn1cccn1
InChIInChI=1S/C19H28N4O2/c1-15(13-23-9-5-8-20-23)21-17-7-6-16(12-18(17)24-4)22-10-11-25-19(2,3)14-22/h5-9,12,15,21H,10-11,13-14H2,1-4H3
InChIKeyWVAYDZOLAAMEAU-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.01
Rot. Bonds6

About 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline

4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline (PubChem CID 86796350) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline
PubChem CID86796350
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline
SMILESCOc1cc(N2CCOC(C)(C)C2)ccc1NC(C)Cn1cccn1
InChIInChI=1S/C19H28N4O2/c1-15(13-23-9-5-8-20-23)21-17-7-6-16(12-18(17)24-4)22-10-11-25-19(2,3)14-22/h5-9,12,15,21H,10-11,13-14H2,1-4H3
InChIKeyWVAYDZOLAAMEAU-UHFFFAOYSA-N
XLogP3.01
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline (CID 86796350) is 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline is COc1cc(N2CCOC(C)(C)C2)ccc1NC(C)Cn1cccn1.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline?
The InChIKey is WVAYDZOLAAMEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(13-23-9-5-8-20-23)21-17-7-6-16(12-18(17)24-4)22-10-11-25-19(2,3)14-22/h5-9,12,15,21H,10-11,13-14H2,1-4H3.
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline?
4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline has a molecular weight of 344.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline is sourced from PubChem (CID 86796350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).