N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine

C10H15ClF3N3 — CID 55011277

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1c(C)nn(C)c1Cl)CC(F)(F)F
InChIInChI=1S/C10H15ClF3N3/c1-4-17(6-10(12,13)14)5-8-7(2)15-16(3)9(8)11/h4-6H2,1-3H3
InChIKeyRXLNCZIVVXUQSP-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.77
Rot. Bonds4

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 55011277) has the molecular formula C10H15ClF3N3 and a molecular weight of 269.70 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID55011277
Molecular FormulaC10H15ClF3N3
Molecular Weight269.70 g/mol
Exact Mass269.09
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(Cc1c(C)nn(C)c1Cl)CC(F)(F)F
InChIInChI=1S/C10H15ClF3N3/c1-4-17(6-10(12,13)14)5-8-7(2)15-16(3)9(8)11/h4-6H2,1-3H3
InChIKeyRXLNCZIVVXUQSP-UHFFFAOYSA-N
XLogP2.77
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine (CID 55011277) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine is CCN(Cc1c(C)nn(C)c1Cl)CC(F)(F)F.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is RXLNCZIVVXUQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N3/c1-4-17(6-10(12,13)14)5-8-7(2)15-16(3)9(8)11/h4-6H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 269.70 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 55011277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).