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

C14H25F3N4 — CID 63794539

IUPAC4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCN(CC(F)(F)F)c1c(CC(N)CC)c(C)nn1C
InChIInChI=1S/C14H25F3N4/c1-5-7-21(9-14(15,16)17)13-12(8-11(18)6-2)10(3)19-20(13)4/h11H,5-9,18H2,1-4H3
InChIKeyLQVHUVHNDXZENQ-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.79
Rot. Bonds7

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

4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 63794539) has the molecular formula C14H25F3N4 and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID63794539
Molecular FormulaC14H25F3N4
Molecular Weight306.38 g/mol
Exact Mass306.20
IUPAC Name4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCN(CC(F)(F)F)c1c(CC(N)CC)c(C)nn1C
InChIInChI=1S/C14H25F3N4/c1-5-7-21(9-14(15,16)17)13-12(8-11(18)6-2)10(3)19-20(13)4/h11H,5-9,18H2,1-4H3
InChIKeyLQVHUVHNDXZENQ-UHFFFAOYSA-N
XLogP2.79
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 63794539) is 4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCCN(CC(F)(F)F)c1c(CC(N)CC)c(C)nn1C.
What is the InChIKey of 4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is LQVHUVHNDXZENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4/c1-5-7-21(9-14(15,16)17)13-12(8-11(18)6-2)10(3)19-20(13)4/h11H,5-9,18H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 306.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 63794539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).