N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C9H14F3N3 — CID 138648708

IUPACN-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCC(C)(C)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3/c1-8(2,3)13-7-4-5-15(14-7)6-9(10,11)12/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyVXJNWZDWRPVDLC-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.66
Rot. Bonds2

About N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 138648708) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID138648708
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCC(C)(C)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3/c1-8(2,3)13-7-4-5-15(14-7)6-9(10,11)12/h4-5H,6H2,1-3H3,(H,13,14)
InChIKeyVXJNWZDWRPVDLC-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 138648708) is N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is CC(C)(C)Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is VXJNWZDWRPVDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-8(2,3)13-7-4-5-15(14-7)6-9(10,11)12/h4-5H,6H2,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 221.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 138648708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).