1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one

C18H23N3O2 — CID 75470373

IUPAC1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13-18(14(2)20-19-13)16-12-23-11-10-21(16)17(22)9-8-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,19,20)
InChIKeyKTVDETYZJWHTKH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.56
Rot. Bonds4

About 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one (PubChem CID 75470373) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
PubChem CID75470373
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13-18(14(2)20-19-13)16-12-23-11-10-21(16)17(22)9-8-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,19,20)
InChIKeyKTVDETYZJWHTKH-UHFFFAOYSA-N
XLogP2.56
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one (CID 75470373) is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one is Cc1n[nH]c(C)c1C1COCCN1C(=O)CCc1ccccc1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one?
The InChIKey is KTVDETYZJWHTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-18(14(2)20-19-13)16-12-23-11-10-21(16)17(22)9-8-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one?
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one has a molecular weight of 313.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 75470373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).