4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline

C11H9ClF3N3 — CID 43662296

IUPAC4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)ccc1NCc1ccn[nH]1
InChIInChI=1S/C11H9ClF3N3/c12-7-1-2-10(9(5-7)11(13,14)15)16-6-8-3-4-17-18-8/h1-5,16H,6H2,(H,17,18)
InChIKeyPOQSUCBADVVING-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.69
Rot. Bonds3

About 4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline

4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 43662296) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID43662296
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)ccc1NCc1ccn[nH]1
InChIInChI=1S/C11H9ClF3N3/c12-7-1-2-10(9(5-7)11(13,14)15)16-6-8-3-4-17-18-8/h1-5,16H,6H2,(H,17,18)
InChIKeyPOQSUCBADVVING-UHFFFAOYSA-N
XLogP3.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 62742684
3-chloro-4-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662509
N-[(5-bromo-3-pyridinyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 104796648
methyl 4-chloro-2-(1H-pyrazol-5-ylmethylamino)benzoate
CID 43680666
N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66385827
4-chloro-N-[(2-methylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 29045449
6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol
CID 79775734
N-[(6-bromo-2-pyridinyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 115937775
4-chloro-N-prop-2-ynyl-2-(trifluoromethyl)aniline
CID 62140302
3-chloro-4-(1H-pyrazol-5-ylmethylamino)benzonitrile
CID 63092929
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 28534147
4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28548305

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline (CID 43662296) is 4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1cc(Cl)ccc1NCc1ccn[nH]1.
What is the InChIKey of 4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is POQSUCBADVVING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c12-7-1-2-10(9(5-7)11(13,14)15)16-6-8-3-4-17-18-8/h1-5,16H,6H2,(H,17,18).
What are the key properties of 4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline?
4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 275.66 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43662296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).