N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine

C9H14F3N3 — CID 57139999

IUPACN-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCc1cc(NC)n(CC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3/c1-3-4-7-5-8(13-2)15(14-7)6-9(10,11)12/h5,13H,3-4,6H2,1-2H3
InChIKeyGMTCSWKTHJXUQD-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.44
Rot. Bonds4

About N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine

N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 57139999) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID57139999
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCc1cc(NC)n(CC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3/c1-3-4-7-5-8(13-2)15(14-7)6-9(10,11)12/h5,13H,3-4,6H2,1-2H3
InChIKeyGMTCSWKTHJXUQD-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 57139999) is N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCCc1cc(NC)n(CC(F)(F)F)n1.
What is the InChIKey of N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is GMTCSWKTHJXUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-3-4-7-5-8(13-2)15(14-7)6-9(10,11)12/h5,13H,3-4,6H2,1-2H3.
What are the key properties of N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine?
N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 221.23 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 57139999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).