1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

C8H11ClF3N3 — CID 114648465

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1c(Cl)cnn1C
InChIInChI=1S/C8H11ClF3N3/c1-13-6(3-8(10,11)12)7-5(9)4-14-15(7)2/h4,6,13H,3H2,1-2H3
InChIKeyQXUKFUKJHGXJOF-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.29
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 114648465) has the molecular formula C8H11ClF3N3 and a molecular weight of 241.64 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID114648465
Molecular FormulaC8H11ClF3N3
Molecular Weight241.64 g/mol
Exact Mass241.06
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1c(Cl)cnn1C
InChIInChI=1S/C8H11ClF3N3/c1-13-6(3-8(10,11)12)7-5(9)4-14-15(7)2/h4,6,13H,3H2,1-2H3
InChIKeyQXUKFUKJHGXJOF-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206072
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 114658003
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105186111
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312325
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114660124
1-(4-chloro-1-methylpyrazol-5-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 105046655
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148627
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648390
1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 105186017
3,3,3-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63963299
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648475

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 114648465) is 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is CNC(CC(F)(F)F)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is QXUKFUKJHGXJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N3/c1-13-6(3-8(10,11)12)7-5(9)4-14-15(7)2/h4,6,13H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 241.64 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 114648465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).