3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline

C11H9ClF3N3 — CID 19624453

IUPAC3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
SMILESCc1cc(C(F)(F)F)nn1-c1c(N)cccc1Cl
InChIInChI=1S/C11H9ClF3N3/c1-6-5-9(11(13,14)15)17-18(6)10-7(12)3-2-4-8(10)16/h2-5H,16H2,1H3
InChIKeyDVXZWNHQEKZQHK-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.44
Rot. Bonds1

About 3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline

3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline (PubChem CID 19624453) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline.

Molecular Properties

Compound Name3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
PubChem CID19624453
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
SMILESCc1cc(C(F)(F)F)nn1-c1c(N)cccc1Cl
InChIInChI=1S/C11H9ClF3N3/c1-6-5-9(11(13,14)15)17-18(6)10-7(12)3-2-4-8(10)16/h2-5H,16H2,1H3
InChIKeyDVXZWNHQEKZQHK-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline?
The IUPAC name of 3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline (CID 19624453) is 3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline.
What is the SMILES notation for 3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline?
The canonical SMILES for 3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline is Cc1cc(C(F)(F)F)nn1-c1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline?
The InChIKey is DVXZWNHQEKZQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-6-5-9(11(13,14)15)17-18(6)10-7(12)3-2-4-8(10)16/h2-5H,16H2,1H3.
What are the key properties of 3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline?
3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline has a molecular weight of 275.66 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline is sourced from PubChem (CID 19624453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).