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

C14H23F3N4 — CID 63795763

IUPAC4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H23F3N4/c1-4-10(18)7-12-9(2)19-20(3)13(12)21(11-5-6-11)8-14(15,16)17/h10-11H,4-8,18H2,1-3H3
InChIKeyJHYHHLOOCGINLR-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.54
Rot. Bonds6

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

4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 63795763) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID63795763
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C14H23F3N4/c1-4-10(18)7-12-9(2)19-20(3)13(12)21(11-5-6-11)8-14(15,16)17/h10-11H,4-8,18H2,1-3H3
InChIKeyJHYHHLOOCGINLR-UHFFFAOYSA-N
XLogP2.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.54
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-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 63795763) is 4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCC(N)Cc1c(C)nn(C)c1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is JHYHHLOOCGINLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-4-10(18)7-12-9(2)19-20(3)13(12)21(11-5-6-11)8-14(15,16)17/h10-11H,4-8,18H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 304.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-cyclopropyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 63795763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).