(4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

C16H15ClF3N3O2 — CID 56872408

IUPAC(4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1[nH]ncc1Cl)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H15ClF3N3O2/c17-13-8-21-22-14(13)15(24)23-4-5-25-12(9-23)7-10-2-1-3-11(6-10)16(18,19)20/h1-3,6,8,12H,4-5,7,9H2,(H,21,22)
InChIKeyFXTDSKFYIIHIBL-UHFFFAOYSA-N
MW373.76 g/mol
LogP3.17
Rot. Bonds3

About (4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

(4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 56872408) has the molecular formula C16H15ClF3N3O2 and a molecular weight of 373.76 g/mol. Its IUPAC name is (4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID56872408
Molecular FormulaC16H15ClF3N3O2
Molecular Weight373.76 g/mol
Exact Mass373.08
IUPAC Name(4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1[nH]ncc1Cl)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H15ClF3N3O2/c17-13-8-21-22-14(13)15(24)23-4-5-25-12(9-23)7-10-2-1-3-11(6-10)16(18,19)20/h1-3,6,8,12H,4-5,7,9H2,(H,21,22)
InChIKeyFXTDSKFYIIHIBL-UHFFFAOYSA-N
XLogP3.17
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (CID 56872408) is (4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is O=C(c1[nH]ncc1Cl)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is FXTDSKFYIIHIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2/c17-13-8-21-22-14(13)15(24)23-4-5-25-12(9-23)7-10-2-1-3-11(6-10)16(18,19)20/h1-3,6,8,12H,4-5,7,9H2,(H,21,22).
What are the key properties of (4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
(4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 373.76 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 56872408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).