2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide

C19H26N4O2 — CID 75474361

IUPAC2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C1COCCN1CC(=O)N(C)C
InChIInChI=1S/C19H26N4O2/c1-14-19(15(2)23(20-14)16-8-6-5-7-9-16)17-13-25-11-10-22(17)12-18(24)21(3)4/h5-9,17H,10-13H2,1-4H3
InChIKeyIATNRZXSBNIKPK-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.95
Rot. Bonds4

About 2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide

2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide (PubChem CID 75474361) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide
PubChem CID75474361
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C1COCCN1CC(=O)N(C)C
InChIInChI=1S/C19H26N4O2/c1-14-19(15(2)23(20-14)16-8-6-5-7-9-16)17-13-25-11-10-22(17)12-18(24)21(3)4/h5-9,17H,10-13H2,1-4H3
InChIKeyIATNRZXSBNIKPK-UHFFFAOYSA-N
XLogP1.95
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 75474365
[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75473685
1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 75473692
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenylmorpholine-4-carboxamide
CID 71870397
2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone
CID 97343069
3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122066754
1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-hydroxyethanone
CID 97343150
1-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]propan-1-one
CID 97343099
(1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343087
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-yl-2-phenylethanone
CID 40855767
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8712451
[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 75473726

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide (CID 75474361) is 2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide is Cc1nn(-c2ccccc2)c(C)c1C1COCCN1CC(=O)N(C)C.
What is the InChIKey of 2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide?
The InChIKey is IATNRZXSBNIKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-19(15(2)23(20-14)16-8-6-5-7-9-16)17-13-25-11-10-22(17)12-18(24)21(3)4/h5-9,17H,10-13H2,1-4H3.
What are the key properties of 2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide?
2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide has a molecular weight of 342.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 75474361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).