N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C11H17ClF3N3 — CID 55011520

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCc1nn(C)c(Cl)c1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H17ClF3N3/c1-7(2)18(6-11(13,14)15)5-9-8(3)16-17(4)10(9)12/h7H,5-6H2,1-4H3
InChIKeyGVZNXDJXYZGPEU-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.15
Rot. Bonds4

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 55011520) has the molecular formula C11H17ClF3N3 and a molecular weight of 283.73 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID55011520
Molecular FormulaC11H17ClF3N3
Molecular Weight283.73 g/mol
Exact Mass283.11
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCc1nn(C)c(Cl)c1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H17ClF3N3/c1-7(2)18(6-11(13,14)15)5-9-8(3)16-17(4)10(9)12/h7H,5-6H2,1-4H3
InChIKeyGVZNXDJXYZGPEU-UHFFFAOYSA-N
XLogP3.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.15
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-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 55011520) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is Cc1nn(C)c(Cl)c1CN(CC(F)(F)F)C(C)C.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is GVZNXDJXYZGPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3N3/c1-7(2)18(6-11(13,14)15)5-9-8(3)16-17(4)10(9)12/h7H,5-6H2,1-4H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 283.73 g/mol, XLogP of 3.15, 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-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 55011520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).