1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane

C13H24ClF3N4O — CID 142843293

IUPAC1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane
SMILESCC.CC.CCNC(=O)NCc1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C9H12ClF3N4O.2C2H6/c1-3-14-8(18)15-4-5-6(10)7(9(11,12)13)16-17(5)2;2*1-2/h3-4H2,1-2H3,(H2,14,15,18);2*1-2H3
InChIKeyXCGBRGUZARQUOK-UHFFFAOYSA-N
MW344.81 g/mol
LogP3.96
Rot. Bonds3

About 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane

1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane (PubChem CID 142843293) has the molecular formula C13H24ClF3N4O and a molecular weight of 344.81 g/mol. Its IUPAC name is 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane.

Molecular Properties

Compound Name1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane
PubChem CID142843293
Molecular FormulaC13H24ClF3N4O
Molecular Weight344.81 g/mol
Exact Mass344.16
IUPAC Name1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane
SMILESCC.CC.CCNC(=O)NCc1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C9H12ClF3N4O.2C2H6/c1-3-14-8(18)15-4-5-6(10)7(9(11,12)13)16-17(5)2;2*1-2/h3-4H2,1-2H3,(H2,14,15,18);2*1-2H3
InChIKeyXCGBRGUZARQUOK-UHFFFAOYSA-N
XLogP3.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(butan-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3124864
N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4037655
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 19575395
[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 71053772
(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51390380
2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide
CID 71938717
2-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-cyclopropylpropanamide
CID 4770262
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclopentylpropanamide
CID 4770957
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
CID 4772551
N-{3-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propyl}-N'-cyclohexylurea
CID 17020521
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperazin-1-ylethanone
CID 21071112
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-piperazin-1-yl-ethanone hydrochloride
CID 21071113

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane?
The IUPAC name of 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane (CID 142843293) is 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane.
What is the SMILES notation for 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane?
The canonical SMILES for 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane is CC.CC.CCNC(=O)NCc1c(Cl)c(C(F)(F)F)nn1C.
What is the InChIKey of 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane?
The InChIKey is XCGBRGUZARQUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N4O.2C2H6/c1-3-14-8(18)15-4-5-6(10)7(9(11,12)13)16-17(5)2;2*1-2/h3-4H2,1-2H3,(H2,14,15,18);2*1-2H3.
What are the key properties of 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane?
1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane has a molecular weight of 344.81 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea;ethane is sourced from PubChem (CID 142843293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).