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

C17H18F3N3O2 — CID 45201990

IUPAC(5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H18F3N3O2/c1-11-15(9-21-22-11)16(24)23-5-6-25-14(10-23)8-12-3-2-4-13(7-12)17(18,19)20/h2-4,7,9,14H,5-6,8,10H2,1H3,(H,21,22)
InChIKeyFTEWRBVHBSZMKM-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.82
Rot. Bonds3

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

(5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 45201990) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID45201990
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H18F3N3O2/c1-11-15(9-21-22-11)16(24)23-5-6-25-14(10-23)8-12-3-2-4-13(7-12)17(18,19)20/h2-4,7,9,14H,5-6,8,10H2,1H3,(H,21,22)
InChIKeyFTEWRBVHBSZMKM-UHFFFAOYSA-N
XLogP2.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1H-pyrazol-5-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 56872408
N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 162658317
N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
CID 56792444
2-(4-fluorobenzyl)-4-[(3-methyl-1H-pyrazol-4-yl)carbonyl]morpholine
CID 45227096
4-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45234592
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 45864181
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 56918384
5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 70708292
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide
CID 71848878
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918276
(2,5-difluorophenyl)-[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 118739825
N-Cyclopropyl-N-[9-(3-phenyl-1H-pyrazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-YL]acetamide
CID 91919836

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (CID 45201990) is (5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is Cc1[nH]ncc1C(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is FTEWRBVHBSZMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11-15(9-21-22-11)16(24)23-5-6-25-14(10-23)8-12-3-2-4-13(7-12)17(18,19)20/h2-4,7,9,14H,5-6,8,10H2,1H3,(H,21,22).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
(5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 353.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 45201990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).