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

C13H23F3N4 — CID 63795577

IUPAC4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CC(C)N
InChIInChI=1S/C13H23F3N4/c1-8(2)20(7-13(14,15)16)12-11(6-9(3)17)10(4)18-19(12)5/h8-9H,6-7,17H2,1-5H3
InChIKeyLGXNSVLMNHIWAS-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.40
Rot. Bonds5

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

4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 63795577) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID63795577
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC Name4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CC(C)N
InChIInChI=1S/C13H23F3N4/c1-8(2)20(7-13(14,15)16)12-11(6-9(3)17)10(4)18-19(12)5/h8-9H,6-7,17H2,1-5H3
InChIKeyLGXNSVLMNHIWAS-UHFFFAOYSA-N
XLogP2.40
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 63795577) is 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is Cc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is LGXNSVLMNHIWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4/c1-8(2)20(7-13(14,15)16)12-11(6-9(3)17)10(4)18-19(12)5/h8-9H,6-7,17H2,1-5H3.
What are the key properties of 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 292.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 63795577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).