1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C11H17ClF3N3O — CID 103215619

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCc1nn(C)c(CC(N)COCC(F)(F)F)c1Cl
InChIInChI=1S/C11H17ClF3N3O/c1-3-8-10(12)9(18(2)17-8)4-7(16)5-19-6-11(13,14)15/h7H,3-6,16H2,1-2H3
InChIKeyRTLHOLIQZZQAOI-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.08
Rot. Bonds6

About 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215619) has the molecular formula C11H17ClF3N3O and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215619
Molecular FormulaC11H17ClF3N3O
Molecular Weight299.72 g/mol
Exact Mass299.10
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCc1nn(C)c(CC(N)COCC(F)(F)F)c1Cl
InChIInChI=1S/C11H17ClF3N3O/c1-3-8-10(12)9(18(2)17-8)4-7(16)5-19-6-11(13,14)15/h7H,3-6,16H2,1-2H3
InChIKeyRTLHOLIQZZQAOI-UHFFFAOYSA-N
XLogP2.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217584
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148099
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215689
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093475
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103147997
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927949
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216923
(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702822
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine
CID 112565954
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79952752
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine
CID 104998510
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanamine
CID 104998324

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215619) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCc1nn(C)c(CC(N)COCC(F)(F)F)c1Cl.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is RTLHOLIQZZQAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3N3O/c1-3-8-10(12)9(18(2)17-8)4-7(16)5-19-6-11(13,14)15/h7H,3-6,16H2,1-2H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 299.72 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).