(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine

C13H13ClF3N3 — CID 105040696

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCCn1ncc(Cl)c1C(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13ClF3N3/c1-2-20-12(10(14)7-19-20)11(18)8-3-5-9(6-4-8)13(15,16)17/h3-7,11H,2,18H2,1H3
InChIKeyDFSZHRVGQFSJKQ-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.62
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine

(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 105040696) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.72 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID105040696
Molecular FormulaC13H13ClF3N3
Molecular Weight303.72 g/mol
Exact Mass303.08
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCCn1ncc(Cl)c1C(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13ClF3N3/c1-2-20-12(10(14)7-19-20)11(18)8-3-5-9(6-4-8)13(15,16)17/h3-7,11H,2,18H2,1H3
InChIKeyDFSZHRVGQFSJKQ-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 114646443
(4-chloro-1-ethylpyrazol-5-yl)-(3,4-difluorophenyl)methanamine
CID 114646613
(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659171
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methanamine
CID 114025411
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040808
4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
CID 105184141
(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848481
1-(4-chloro-1-ethylpyrazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 114644158
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105040526
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105183156
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 57229861
(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methanamine
CID 114651502

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine (CID 105040696) is (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine is CCn1ncc(Cl)c1C(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DFSZHRVGQFSJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c1-2-20-12(10(14)7-19-20)11(18)8-3-5-9(6-4-8)13(15,16)17/h3-7,11H,2,18H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine?
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 303.72 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105040696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).