4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C13H21F3N4 — CID 63795591

IUPAC4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(CC(F)(F)F)C2CC2)c1CC(C)N
InChIInChI=1S/C13H21F3N4/c1-8(17)6-11-9(2)18-19(3)12(11)20(10-4-5-10)7-13(14,15)16/h8,10H,4-7,17H2,1-3H3
InChIKeyABHLKSKDVAFLLU-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.15
Rot. Bonds5

About 4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 63795591) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID63795591
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(CC(F)(F)F)C2CC2)c1CC(C)N
InChIInChI=1S/C13H21F3N4/c1-8(17)6-11-9(2)18-19(3)12(11)20(10-4-5-10)7-13(14,15)16/h8,10H,4-7,17H2,1-3H3
InChIKeyABHLKSKDVAFLLU-UHFFFAOYSA-N
XLogP2.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 63795591) is 4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is Cc1nn(C)c(N(CC(F)(F)F)C2CC2)c1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is ABHLKSKDVAFLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-8(17)6-11-9(2)18-19(3)12(11)20(10-4-5-10)7-13(14,15)16/h8,10H,4-7,17H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 290.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 63795591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).