1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine

C9H13ClF3N3 — CID 153038818

IUPAC1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine
SMILESCC(N)c1c(Cl)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C9H13ClF3N3/c1-4(2)16-7(5(3)14)6(10)8(15-16)9(11,12)13/h4-5H,14H2,1-3H3
InChIKeyVFGTXQSGICUVMC-UHFFFAOYSA-N
MW255.67 g/mol
LogP3.16
Rot. Bonds2

About 1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine

1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine (PubChem CID 153038818) has the molecular formula C9H13ClF3N3 and a molecular weight of 255.67 g/mol. Its IUPAC name is 1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine
PubChem CID153038818
Molecular FormulaC9H13ClF3N3
Molecular Weight255.67 g/mol
Exact Mass255.08
IUPAC Name1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine
SMILESCC(N)c1c(Cl)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C9H13ClF3N3/c1-4(2)16-7(5(3)14)6(10)8(15-16)9(11,12)13/h4-5H,14H2,1-3H3
InChIKeyVFGTXQSGICUVMC-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine?
The IUPAC name of 1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine (CID 153038818) is 1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine is CC(N)c1c(Cl)c(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine?
The InChIKey is VFGTXQSGICUVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF3N3/c1-4(2)16-7(5(3)14)6(10)8(15-16)9(11,12)13/h4-5H,14H2,1-3H3.
What are the key properties of 1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine?
1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine has a molecular weight of 255.67 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine is sourced from PubChem (CID 153038818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).