1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone

C17H20FN3O2 — CID 75470380

IUPAC1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H20FN3O2/c1-11-17(12(2)20-19-11)15-10-23-7-6-21(15)16(22)9-13-4-3-5-14(18)8-13/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyBWERDKFZFOGGOA-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.31
Rot. Bonds3

About 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 75470380) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone
PubChem CID75470380
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H20FN3O2/c1-11-17(12(2)20-19-11)15-10-23-7-6-21(15)16(22)9-13-4-3-5-14(18)8-13/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyBWERDKFZFOGGOA-UHFFFAOYSA-N
XLogP2.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24819218
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CID 45209998
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CID 45234451
CID 45234451
CID 53185493
CID 53185493
CID 56820908
CID 56820908
CID 56873630
CID 56873630
CID 71704793
CID 71704793
CID 71836806
CID 71836806
CID 75435862
CID 75435862
CID 75470375
CID 75470375

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone (CID 75470380) is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone is Cc1n[nH]c(C)c1C1COCCN1C(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is BWERDKFZFOGGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11-17(12(2)20-19-11)15-10-23-7-6-21(15)16(22)9-13-4-3-5-14(18)8-13/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone?
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 317.36 g/mol, XLogP of 2.31, 3 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]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 75470380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).