2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one

C12H15ClF3N3O2 — CID 4768699

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H15ClF3N3O2/c1-7-9(13)10(12(14,15)16)17-19(7)8(2)11(20)18-3-5-21-6-4-18/h8H,3-6H2,1-2H3
InChIKeyZXICNMNZPJRBPN-UHFFFAOYSA-N
MW325.72 g/mol
LogP2.28
Rot. Bonds2

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 4768699) has the molecular formula C12H15ClF3N3O2 and a molecular weight of 325.72 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID4768699
Molecular FormulaC12H15ClF3N3O2
Molecular Weight325.72 g/mol
Exact Mass325.08
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H15ClF3N3O2/c1-7-9(13)10(12(14,15)16)17-19(7)8(2)11(20)18-3-5-21-6-4-18/h8H,3-6H2,1-2H3
InChIKeyZXICNMNZPJRBPN-UHFFFAOYSA-N
XLogP2.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}thiomorpholine
CID 659687
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-N-(2-methoxy-ethyl)-acetamide
CID 645072
2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-1-morpholin-4-yl-ethanone
CID 673378
(4-Chloro-2,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1236013
N-(butan-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3124864
Morpholine, 4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-
CID 5305771
ethyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
CID 757300
2-[4-Bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-morpholin-4-ylethan-1-one
CID 1100796
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 19575395
isopropyl [4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
CID 779330
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
CID 742296
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N,N-diethylacetamide
CID 3455021

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one (CID 4768699) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZXICNMNZPJRBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O2/c1-7-9(13)10(12(14,15)16)17-19(7)8(2)11(20)18-3-5-21-6-4-18/h8H,3-6H2,1-2H3.
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 325.72 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 4768699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).