1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one

C23H26N4O2 — CID 75473692

IUPAC1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESCc1nn(-c2ccccc2)c(C)c1C1COCCN1C(=O)CCc1cccnc1
InChIInChI=1S/C23H26N4O2/c1-17-23(18(2)27(25-17)20-8-4-3-5-9-20)21-16-29-14-13-26(21)22(28)11-10-19-7-6-12-24-15-19/h3-9,12,15,21H,10-11,13-14,16H2,1-2H3
InChIKeyCSNKBULMYWPGLR-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.42
Rot. Bonds5

About 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one

1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 75473692) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID75473692
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESCc1nn(-c2ccccc2)c(C)c1C1COCCN1C(=O)CCc1cccnc1
InChIInChI=1S/C23H26N4O2/c1-17-23(18(2)27(25-17)20-8-4-3-5-9-20)21-16-29-14-13-26(21)22(28)11-10-19-7-6-12-24-15-19/h3-9,12,15,21H,10-11,13-14,16H2,1-2H3
InChIKeyCSNKBULMYWPGLR-UHFFFAOYSA-N
XLogP3.42
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone
CID 97343069
[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75473685
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 75470373
1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 115270965
1-[(3S)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one
CID 97342997
2-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-N,N-dimethylacetamide
CID 75474361
3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122066754
2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 97256182
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 24543238
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
methyl N-[2-[(3S)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]carbamate
CID 97343044

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one (CID 75473692) is 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one is Cc1nn(-c2ccccc2)c(C)c1C1COCCN1C(=O)CCc1cccnc1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is CSNKBULMYWPGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-23(18(2)27(25-17)20-8-4-3-5-9-20)21-16-29-14-13-26(21)22(28)11-10-19-7-6-12-24-15-19/h3-9,12,15,21H,10-11,13-14,16H2,1-2H3.
What are the key properties of 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 390.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 75473692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).