[5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone

C14H20F3N3O2 — CID 42817690

IUPAC[5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCCCc1nn(CC(F)(F)F)c(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C14H20F3N3O2/c1-3-4-11-12(13(21)19-5-7-22-8-6-19)10(2)20(18-11)9-14(15,16)17/h3-9H2,1-2H3
InChIKeyYZDNOSHCTGIRPS-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.18
Rot. Bonds4

About [5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone

[5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 42817690) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is [5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID42817690
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name[5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESCCCc1nn(CC(F)(F)F)c(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C14H20F3N3O2/c1-3-4-11-12(13(21)19-5-7-22-8-6-19)10(2)20(18-11)9-14(15,16)17/h3-9H2,1-2H3
InChIKeyYZDNOSHCTGIRPS-UHFFFAOYSA-N
XLogP2.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethyl-3-isobutyl-1-methyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 42669902
[5-Methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 8077168
(2,6-Dimethylmorpholin-4-yl)-[5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 45502102
N-(1-methoxypropan-2-yl)-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502111
(1-(1-isopropylpiperidin-3-yl)-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(morpholino)methanone
CID 45502123
1-(1-isopropylpiperidin-3-yl)-N-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 45502125
1-(1-isopropylpiperidin-3-yl)-N-(1-methoxypropan-2-yl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 45502143
[1,5-Dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethanone
CID 49669444
(2,6-dimethylmorpholino)(1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanone
CID 49675659
(5-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)(morpholino)methanone
CID 49675729
(1-(1-isopropylpiperidin-4-yl)-5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(morpholino)methanone
CID 49675752
N-(2-methoxyethyl)-5-methyl-1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 49675754

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone (CID 42817690) is [5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone is CCCc1nn(CC(F)(F)F)c(C)c1C(=O)N1CCOCC1.
What is the InChIKey of [5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YZDNOSHCTGIRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-3-4-11-12(13(21)19-5-7-22-8-6-19)10(2)20(18-11)9-14(15,16)17/h3-9H2,1-2H3.
What are the key properties of [5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone?
[5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 319.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42817690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).