[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine

C13H13ClF3N3 — CID 62130684

IUPAC[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1nn(-c2ccc(CN)c(C(F)(F)F)c2)c(C)c1Cl
InChIInChI=1S/C13H13ClF3N3/c1-7-12(14)8(2)20(19-7)10-4-3-9(6-18)11(5-10)13(15,16)17/h3-5H,6,18H2,1-2H3
InChIKeyIZXYIPJGHRXLGK-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.62
Rot. Bonds2

About [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine

[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 62130684) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.72 g/mol. Its IUPAC name is [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
PubChem CID62130684
Molecular FormulaC13H13ClF3N3
Molecular Weight303.72 g/mol
Exact Mass303.08
IUPAC Name[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1nn(-c2ccc(CN)c(C(F)(F)F)c2)c(C)c1Cl
InChIInChI=1S/C13H13ClF3N3/c1-7-12(14)8(2)20(19-7)10-4-3-9(6-18)11(5-10)13(15,16)17/h3-5H,6,18H2,1-2H3
InChIKeyIZXYIPJGHRXLGK-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine (CID 62130684) is [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine is Cc1nn(-c2ccc(CN)c(C(F)(F)F)c2)c(C)c1Cl.
What is the InChIKey of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IZXYIPJGHRXLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c1-7-12(14)8(2)20(19-7)10-4-3-9(6-18)11(5-10)13(15,16)17/h3-5H,6,18H2,1-2H3.
What are the key properties of [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine?
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 303.72 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 62130684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).