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

C8H11ClF3N3 — CID 59833771

IUPAC[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
SMILESCC(C)n1nc(C(F)(F)F)c(Cl)c1CN
InChIInChI=1S/C8H11ClF3N3/c1-4(2)15-5(3-13)6(9)7(14-15)8(10,11)12/h4H,3,13H2,1-2H3
InChIKeyHICBHOOHAKSDAR-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.59
Rot. Bonds2

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

[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine (PubChem CID 59833771) has the molecular formula C8H11ClF3N3 and a molecular weight of 241.64 g/mol. Its IUPAC name is [4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
PubChem CID59833771
Molecular FormulaC8H11ClF3N3
Molecular Weight241.64 g/mol
Exact Mass241.06
IUPAC Name[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
SMILESCC(C)n1nc(C(F)(F)F)c(Cl)c1CN
InChIInChI=1S/C8H11ClF3N3/c1-4(2)15-5(3-13)6(9)7(14-15)8(10,11)12/h4H,3,13H2,1-2H3
InChIKeyHICBHOOHAKSDAR-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
The IUPAC name of [4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine (CID 59833771) is [4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine is CC(C)n1nc(C(F)(F)F)c(Cl)c1CN.
What is the InChIKey of [4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
The InChIKey is HICBHOOHAKSDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N3/c1-4(2)15-5(3-13)6(9)7(14-15)8(10,11)12/h4H,3,13H2,1-2H3.
What are the key properties of [4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine?
[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine has a molecular weight of 241.64 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 59833771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).