[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone

C10H11ClF3N3O2 — CID 4767754

IUPAC[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCOCC1
InChIInChI=1S/C10H11ClF3N3O2/c1-16-7(6(11)8(15-16)10(12,13)14)9(18)17-2-4-19-5-3-17/h2-5H2,1H3
InChIKeyZGUKIMGFNKAYCG-UHFFFAOYSA-N
MW297.66 g/mol
LogP1.56
Rot. Bonds1

About [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone

[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 4767754) has the molecular formula C10H11ClF3N3O2 and a molecular weight of 297.66 g/mol. Its IUPAC name is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID4767754
Molecular FormulaC10H11ClF3N3O2
Molecular Weight297.66 g/mol
Exact Mass297.05
IUPAC Name[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCOCC1
InChIInChI=1S/C10H11ClF3N3O2/c1-16-7(6(11)8(15-16)10(12,13)14)9(18)17-2-4-19-5-3-17/h2-5H2,1H3
InChIKeyZGUKIMGFNKAYCG-UHFFFAOYSA-N
XLogP1.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone (CID 4767754) is [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCOCC1.
What is the InChIKey of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is ZGUKIMGFNKAYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2/c1-16-7(6(11)8(15-16)10(12,13)14)9(18)17-2-4-19-5-3-17/h2-5H2,1H3.
What are the key properties of [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 297.66 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 4767754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).