4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C12H21F3N4 — CID 63787175

IUPAC4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCN(CC(F)(F)F)c1c(CCN)c(C)nn1C
InChIInChI=1S/C12H21F3N4/c1-4-7-19(8-12(13,14)15)11-10(5-6-16)9(2)17-18(11)3/h4-8,16H2,1-3H3
InChIKeyHAUOIHFHTHSFFV-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.01
Rot. Bonds6

About 4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 63787175) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID63787175
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCN(CC(F)(F)F)c1c(CCN)c(C)nn1C
InChIInChI=1S/C12H21F3N4/c1-4-7-19(8-12(13,14)15)11-10(5-6-16)9(2)17-18(11)3/h4-8,16H2,1-3H3
InChIKeyHAUOIHFHTHSFFV-UHFFFAOYSA-N
XLogP2.01
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 63787175) is 4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCCN(CC(F)(F)F)c1c(CCN)c(C)nn1C.
What is the InChIKey of 4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is HAUOIHFHTHSFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-4-7-19(8-12(13,14)15)11-10(5-6-16)9(2)17-18(11)3/h4-8,16H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 278.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 63787175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).