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

C10H17F3N4 — CID 63782577

IUPAC4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1CCN
InChIInChI=1S/C10H17F3N4/c1-7-8(4-5-14)9(17(3)15-7)16(2)6-10(11,12)13/h4-6,14H2,1-3H3
InChIKeyCISUUEAEJXTIRZ-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.23
Rot. Bonds4

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

4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 63782577) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID63782577
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1CCN
InChIInChI=1S/C10H17F3N4/c1-7-8(4-5-14)9(17(3)15-7)16(2)6-10(11,12)13/h4-6,14H2,1-3H3
InChIKeyCISUUEAEJXTIRZ-UHFFFAOYSA-N
XLogP1.23
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 63782577) is 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)CC(F)(F)F)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is CISUUEAEJXTIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-7-8(4-5-14)9(17(3)15-7)16(2)6-10(11,12)13/h4-6,14H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 250.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 63782577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).