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

C11H17ClF3N3 — CID 55011472

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1c(C)nn(C)c1Cl)CC(F)(F)F
InChIInChI=1S/C11H17ClF3N3/c1-4-5-18(7-11(13,14)15)6-9-8(2)16-17(3)10(9)12/h4-7H2,1-3H3
InChIKeyYYRMCCIUAPCZQK-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.16
Rot. Bonds5

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

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55011472) has the molecular formula C11H17ClF3N3 and a molecular weight of 283.72 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55011472
Molecular FormulaC11H17ClF3N3
Molecular Weight283.72 g/mol
Exact Mass283.11
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1c(C)nn(C)c1Cl)CC(F)(F)F
InChIInChI=1S/C11H17ClF3N3/c1-4-5-18(7-11(13,14)15)6-9-8(2)16-17(3)10(9)12/h4-7H2,1-3H3
InChIKeyYYRMCCIUAPCZQK-UHFFFAOYSA-N
XLogP3.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.16
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-1-amine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55011472) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1c(C)nn(C)c1Cl)CC(F)(F)F.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is YYRMCCIUAPCZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3N3/c1-4-5-18(7-11(13,14)15)6-9-8(2)16-17(3)10(9)12/h4-7H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 283.72 g/mol, XLogP of 3.16, 5 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-1-amine is sourced from PubChem (CID 55011472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).