4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C12H21F3N4 — CID 55236997

IUPAC4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N(C)CC(F)(F)F
InChIInChI=1S/C12H21F3N4/c1-5-9(16)6-10-8(2)17-19(4)11(10)18(3)7-12(13,14)15/h9H,5-7,16H2,1-4H3
InChIKeyNIPQGCKHHYZJKZ-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.01
Rot. Bonds5

About 4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 55236997) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID55236997
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N(C)CC(F)(F)F
InChIInChI=1S/C12H21F3N4/c1-5-9(16)6-10-8(2)17-19(4)11(10)18(3)7-12(13,14)15/h9H,5-7,16H2,1-4H3
InChIKeyNIPQGCKHHYZJKZ-UHFFFAOYSA-N
XLogP2.01
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 55236997) is 4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCC(N)Cc1c(C)nn(C)c1N(C)CC(F)(F)F.
What is the InChIKey of 4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is NIPQGCKHHYZJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-5-9(16)6-10-8(2)17-19(4)11(10)18(3)7-12(13,14)15/h9H,5-7,16H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 278.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 55236997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).