1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

C9H10ClF6N3 — CID 103312325

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1c(Cl)cnn1C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10ClF6N3/c1-17-5(6-4(10)3-18-19(6)2)7(8(11,12)13)9(14,15)16/h3,5,7,17H,1-2H3
InChIKeyMAHTUFCECIFXCG-UHFFFAOYSA-N
MW309.64 g/mol
LogP3.07
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312325) has the molecular formula C9H10ClF6N3 and a molecular weight of 309.64 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103312325
Molecular FormulaC9H10ClF6N3
Molecular Weight309.64 g/mol
Exact Mass309.05
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1c(Cl)cnn1C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10ClF6N3/c1-17-5(6-4(10)3-18-19(6)2)7(8(11,12)13)9(14,15)16/h3,5,7,17H,1-2H3
InChIKeyMAHTUFCECIFXCG-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.64
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine with MolForge

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312651
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 114648465
1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514
[2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine
CID 105265541
[1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206072
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755909
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 114658003
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695
1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 114656746
1-(4-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651089
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660754

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (CID 103312325) is 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is CNC(c1c(Cl)cnn1C)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is MAHTUFCECIFXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF6N3/c1-17-5(6-4(10)3-18-19(6)2)7(8(11,12)13)9(14,15)16/h3,5,7,17H,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 309.64 g/mol, XLogP of 3.07, 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-methyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).