2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline

C11H9ClF3N3 — CID 57289315

IUPAC2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline
SMILESCNc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1Cl
InChIInChI=1S/C11H9ClF3N3/c1-16-8-3-2-6(4-7(8)12)9-5-10(18-17-9)11(13,14)15/h2-5,16H,1H3,(H,17,18)
InChIKeyXAONJHLUHUGZBP-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.79
Rot. Bonds2

About 2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline

2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline (PubChem CID 57289315) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline.

Molecular Properties

Compound Name2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline
PubChem CID57289315
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline
SMILESCNc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1Cl
InChIInChI=1S/C11H9ClF3N3/c1-16-8-3-2-6(4-7(8)12)9-5-10(18-17-9)11(13,14)15/h2-5,16H,1H3,(H,17,18)
InChIKeyXAONJHLUHUGZBP-UHFFFAOYSA-N
XLogP3.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline?
The IUPAC name of 2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline (CID 57289315) is 2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline.
What is the SMILES notation for 2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline?
The canonical SMILES for 2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline is CNc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1Cl.
What is the InChIKey of 2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline?
The InChIKey is XAONJHLUHUGZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-16-8-3-2-6(4-7(8)12)9-5-10(18-17-9)11(13,14)15/h2-5,16H,1H3,(H,17,18).
What are the key properties of 2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline?
2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline has a molecular weight of 275.66 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]aniline is sourced from PubChem (CID 57289315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).