4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one

C17H25N5O2 — CID 124961386

IUPAC4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one
SMILESCc1cc(C)n(CCCC(=O)N2CCOC[C@@H]2c2[nH]ncc2C)n1
InChIInChI=1S/C17H25N5O2/c1-12-10-18-19-17(12)15-11-24-8-7-21(15)16(23)5-4-6-22-14(3)9-13(2)20-22/h9-10,15H,4-8,11H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyHBEYSPLZVMAESK-OAHLLOKOSA-N
MW331.42 g/mol
LogP1.91
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one

4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one (PubChem CID 124961386) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one
PubChem CID124961386
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one
SMILESCc1cc(C)n(CCCC(=O)N2CCOC[C@@H]2c2[nH]ncc2C)n1
InChIInChI=1S/C17H25N5O2/c1-12-10-18-19-17(12)15-11-24-8-7-21(15)16(23)5-4-6-22-14(3)9-13(2)20-22/h9-10,15H,4-8,11H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyHBEYSPLZVMAESK-OAHLLOKOSA-N
XLogP1.91
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one (CID 124961386) is 4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one is Cc1cc(C)n(CCCC(=O)N2CCOC[C@@H]2c2[nH]ncc2C)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one?
The InChIKey is HBEYSPLZVMAESK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-10-18-19-17(12)15-11-24-8-7-21(15)16(23)5-4-6-22-14(3)9-13(2)20-22/h9-10,15H,4-8,11H2,1-3H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one?
4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one has a molecular weight of 331.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 124961386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).